data_2n8z_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 2n8z _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 746' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 . . . . . 0 C--O 1.225 -0.193 0 N-CA-C 111.434 0.161 . . . . 50.0 111.434 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.22 -56.02 5.38 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-O 121.013 0.435 . . . . 50.0 110.379 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 22.5 ptp -59.05 -24.54 62.96 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.195 -0.602 . . . . 50.0 110.974 178.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.5 -54.68 42.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.055 -0.52 . . . . 50.0 110.07 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -72.64 -33.45 66.61 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.43 -0.35 . . . . 50.0 110.799 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.1 -47.24 87.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.544 0.688 . . . . 50.0 110.374 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -69.12 -40.11 78.49 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 108.932 -0.766 . . . . 50.0 108.932 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.6 -39.88 92.04 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.273 0.842 . . . . 25.0 113.273 -177.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 8.3 p -68.59 -44.64 73.94 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.795 -0.362 . . . . 25.0 110.545 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -40.81 91.21 Favored 'General case' 0 C--O 1.208 -1.094 0 N-CA-C 107.788 -1.189 . . . . 50.0 107.788 177.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.99 -29.57 67.8 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.362 0.505 . . . . 50.0 112.362 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -71.59 -40.88 69.57 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.198 0.523 . . . . 50.0 110.257 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -82.3 -35.18 28.24 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.798 -0.637 . . . . 50.0 110.603 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -96.69 77.52 2.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.89 1.329 . . . . 50.0 108.331 -178.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -78.6 -6.96 57.03 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.185 -1.371 . . . . 50.0 111.506 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -87.43 -14.61 40.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 122.114 0.959 . . . . 50.0 109.005 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 55.45 37.79 29.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 113.909 -1.496 . . . . 25.0 110.553 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 32.7 t -69.51 -26.72 64.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 122.299 1.047 . . . . 25.0 109.1 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 93.96 -1.03 67.49 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 109.183 -1.567 . . . . 50.0 109.183 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 39.9 p -146.37 154.5 41.72 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 109.088 -0.708 . . . . 25.0 109.088 -176.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 766' ' ' LEU . . . . . 0.447 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 22.8 mt -138.61 173.2 11.84 Favored 'General case' 0 CA--C 1.507 -0.684 0 O-C-N 123.99 0.807 . . . . 50.0 109.02 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.23 171.82 54.41 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.597 -0.811 . . . . 50.0 111.878 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -66.2 -29.71 46.92 Favored 'Trans proline' 0 C--O 1.217 -0.539 0 C-N-CA 121.25 1.3 . . . . 50.0 113.627 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -82.59 -37.14 25.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.987 -0.446 . . . . 50.0 110.513 178.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -63.58 -54.81 30.25 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-O 121.199 0.523 . . . . 50.0 110.389 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 771' ' ' PHE . . . . . 0.447 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.4 OUTLIER -59.35 -28.05 66.49 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.603 0.964 . . . . 50.0 113.603 174.238 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -68.11 -45.13 74.51 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 118.595 0.634 . . . . 50.0 109.381 178.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -70.79 -26.55 63.38 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.343 0.592 . . . . 25.0 110.38 177.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 50.0 t -62.67 -29.94 71.02 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 122.007 -0.433 . . . . 50.0 111.569 176.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 16.1 mt -68.6 -35.96 78.03 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 109.198 -0.667 . . . . 75.0 109.198 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 58.4 mt -57.52 -34.65 47.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.367 -0.605 . . . . 50.0 109.367 -176.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -19.03 63.5 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.518 0.562 . . . . 50.0 112.518 178.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 22.8 mt -96.71 -15.36 21.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.834 0.349 . . . . 50.0 110.648 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 111.68 40.25 1.23 Allowed Glycine 0 N--CA 1.47 0.954 0 N-CA-C 115.208 0.843 . . . . 50.0 115.208 -178.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -108.94 132.15 54.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 122.284 -0.539 . . . . 50.0 109.957 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -81.72 47.91 1.14 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.699 0.8 . . . . 50.0 111.067 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 60.5 mt . . . . . 0 C--N 1.33 -0.264 0 N-CA-C 108.451 -0.944 . . . . 50.0 108.451 -175.789 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.204 -1.751 0 N-CA-C 108.012 -2.035 . . . . 50.0 108.012 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -61.43 -37.1 82.27 Favored 'General case' 0 C--N 1.317 -0.813 0 O-C-N 122.051 -0.676 . . . . 50.0 110.915 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -65.41 -36.86 85.22 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.586 0.708 . . . . 25.0 111.728 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -86.01 -25.96 25.67 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.399 -0.813 . . . . 50.0 110.97 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.24 -33.69 76.33 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.092 -1.077 . . . . 50.0 108.092 177.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.9 -29.12 68.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.468 0.651 . . . . 25.0 110.752 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -75.84 -42.64 49.07 Favored 'General case' 0 CA--C 1.503 -0.846 0 N-CA-C 108.028 -1.101 . . . . 50.0 108.028 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 71.6 mt -65.31 -49.85 76.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 114.158 -1.383 . . . . 50.0 111.201 -174.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 19.0 ptt? -61.09 -28.2 68.91 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.904 0.383 . . . . 50.0 111.51 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 49.8 m -74.39 -18.22 60.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.377 -0.827 . . . . 25.0 112.839 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 77.0 mt -93.7 -47.95 13.38 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.014 0 CA-C-O 121.027 0.441 . . . . 50.0 109.908 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 20.9 m -76.72 -14.99 14.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.805 -0.634 . . . . 50.0 111.473 -176.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -150.81 67.32 7.82 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 121.981 0.896 . . . . 50.0 112.502 -176.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -72.85 -6.83 19.73 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 118.447 -0.569 . . . . 50.0 112.095 177.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -92.36 -4.63 53.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.283 -0.261 . . . . 50.0 111.2 -179.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? 54.06 50.32 16.89 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.764 0.793 . . . . 50.0 111.522 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 86.7 mt -75.57 -24.6 56.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.079 -1.419 . . . . 50.0 108.693 175.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 83.94 20.65 59.05 Favored Glycine 0 C--O 1.223 -0.569 0 CA-C-N 115.035 -0.984 . . . . 50.0 111.064 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 9.9 m -147.08 156.53 10.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 117.547 0.674 . . . . 50.0 110.284 -176.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 10.8 t -131.79 133.04 61.69 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.047 0 C-N-CA 123.113 0.565 . . . . 50.0 110.264 -177.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.73 160.85 14.15 Favored 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 109.376 -0.601 . . . . 25.0 109.376 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -54.22 -42.43 69.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.557 0.694 . . . . 50.0 109.468 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.84 -24.82 61.76 Favored 'General case' 0 C--N 1.316 -0.853 0 O-C-N 121.923 -0.486 . . . . 50.0 110.168 -175.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -75.14 -40.74 59.46 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.4 -0.52 . . . . 25.0 112.108 -177.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.406 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.1 p90 -68.4 -31.8 71.4 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 118.022 -1.471 . . . . 50.0 109.613 176.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 13.5 mm -63.27 -30.01 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 121.408 0.623 . . . . 50.0 109.554 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -59.37 -41.48 89.41 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.333 -0.394 . . . . 50.0 110.526 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 815' ' ' PHE . . . . . 0.406 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 4.3 p90 . . . . . 0 C--O 1.214 -0.776 0 C-N-CA 119.665 -0.814 . . . . 50.0 111.493 176.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.299 0 CA-C-O 121.441 0.639 . . . . 50.0 110.218 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.86 -42.67 98.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.894 -0.593 . . . . 25.0 110.79 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 54.9 m -66.6 -38.95 88.07 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.923 0.712 . . . . 50.0 112.923 -176.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -60.19 -39.52 86.81 Favored 'General case' 0 C--O 1.216 -0.669 0 C-N-CA 119.75 -0.78 . . . . 50.0 111.284 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -62.27 -23.36 66.66 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.572 0.582 . . . . 50.0 112.572 -178.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 74.9 mt -76.83 -42.6 33.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 108.309 -0.997 . . . . 50.0 108.309 -177.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.87 -28.2 24.55 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.282 -0.567 . . . . 50.0 112.364 -176.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -100.8 13.11 36.06 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 113.042 0.756 . . . . 25.0 113.042 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -61.72 -19.11 57.97 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 120.573 -0.823 . . . . 50.0 112.019 176.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -79.16 -18.52 52.94 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.14 0.576 . . . . 25.0 111.821 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -130.07 -169.77 2.19 Favored 'General case' 0 C--O 1.213 -0.858 0 N-CA-C 109.219 -0.66 . . . . 50.0 109.219 -178.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -114.08 10.66 17.48 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 122.089 -0.382 . . . . 50.0 110.39 175.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -154.43 174.35 15.01 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 122.09 0.156 . . . . 50.0 110.75 -175.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 2.2 tp -128.9 149.27 33.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 107.592 -1.262 . . . . 50.0 107.592 -176.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 45.0 p -100.53 159.14 15.39 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 121.036 -1.04 . . . . 25.0 109.969 172.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 72.6 mtm -59.85 -32.4 70.65 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 121.71 0.767 . . . . 50.0 109.941 175.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -66.5 -46.6 75.72 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.838 -0.619 . . . . 25.0 110.982 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -66.44 -46.36 76.71 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.979 -0.555 . . . . 50.0 111.442 -177.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.7 pp -65.49 -24.17 67.08 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.301 0.482 . . . . 50.0 112.301 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -71.41 -17.27 62.41 Favored 'General case' 0 C--O 1.222 -0.375 0 O-C-N 121.387 -0.82 . . . . 50.0 109.987 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -72.0 -27.12 62.53 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.329 -0.857 . . . . 50.0 109.06 175.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -81.54 -39.42 24.69 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 112.474 0.546 . . . . 50.0 112.474 -174.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.78 83.51 16.49 Favored Pre-proline 0 C--O 1.213 -0.865 0 N-CA-C 108.378 -0.971 . . . . 50.0 108.378 178.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -62.23 -24.34 76.06 Favored 'Trans proline' 0 CA--C 1.556 1.592 0 N-CA-C 120.622 3.278 . . . . 25.0 120.622 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -77.08 -161.2 0.13 Allowed 'Trans proline' 0 C--N 1.358 1.068 0 C-N-CA 115.165 -2.757 . . . . 50.0 111.363 177.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -59.18 -12.99 6.01 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 114.71 1.374 . . . . 50.0 114.71 -177.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -53.4 -37.05 62.14 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.911 -0.493 . . . . 50.0 110.136 174.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.34 -42.29 96.34 Favored 'General case' 0 C--O 1.218 -0.586 0 C-N-CA 122.148 0.179 . . . . 25.0 110.934 175.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -66.48 -40.81 89.51 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.144 -1.058 . . . . 50.0 108.144 -178.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -65.37 -26.73 68.14 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.887 -0.597 . . . . 50.0 109.853 177.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 44.2 m -77.34 -45.26 26.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.636 -0.665 . . . . 50.0 110.133 177.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 29.3 mt -60.51 -35.01 60.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 N-CA-C 109.294 -0.632 . . . . 50.0 109.294 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.18 -8.41 17.11 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.057 1.132 . . . . 25.0 114.057 177.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -123.01 -29.04 3.98 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.549 0.944 . . . . 50.0 113.549 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.09 140.69 58.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.648 0.737 . . . . 50.0 112.873 -176.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -71.72 142.28 85.77 Favored Pre-proline 0 C--O 1.216 -0.695 0 CA-C-N 115.67 -0.695 . . . . 25.0 109.327 -177.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -76.0 153.1 36.88 Favored 'Trans proline' 0 C--N 1.349 0.563 0 CA-C-N 119.236 0.763 . . . . 50.0 112.88 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -117.37 127.99 54.59 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.365 0.876 . . . . 50.0 113.365 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 3.0 m -134.39 53.95 1.97 Allowed 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.899 0.857 . . . . 25.0 109.051 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -96.34 -164.82 33.48 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-N 115.644 -0.707 . . . . 50.0 112.54 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.57 -25.08 35.11 Favored 'Trans proline' 0 C--O 1.221 -0.331 0 CA-C-N 118.994 1.397 . . . . 50.0 115.06 -177.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -99.6 17.95 19.2 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.643 0.735 . . . . 50.0 110.937 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 15.6 p -69.58 146.1 52.02 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 115.153 1.538 . . . . 50.0 115.153 -172.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 8.9 m -134.89 163.62 49.93 Favored Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 102.619 -3.104 . . . . 50.0 102.619 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -58.31 -25.36 72.33 Favored 'Trans proline' 0 C--N 1.351 0.703 0 N-CA-C 115.678 1.376 . . . . 50.0 115.678 -176.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -104.42 28.47 14.92 Favored Glycine 0 C--O 1.225 -0.408 0 C-N-CA 120.743 -0.741 . . . . 50.0 113.798 178.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -85.13 133.75 34.2 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 122.011 -0.7 . . . . 25.0 110.795 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 60.4 mt -135.62 139.18 43.6 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.518 -1.29 . . . . 50.0 107.518 -178.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -88.21 101.26 13.66 Favored 'General case' 0 C--N 1.312 -1.06 0 O-C-N 121.144 -0.972 . . . . 50.0 109.513 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -74.29 -29.09 61.49 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-N 115.968 -0.56 . . . . 50.0 110.404 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -34.72 78.37 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.209 -1.034 . . . . 50.0 108.209 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 8.0 t -77.01 -32.18 56.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.388 -1.278 . . . . 50.0 112.188 -177.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -51.83 -41.12 61.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.255 0.55 . . . . 50.0 112.052 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 9.6 t -47.83 -30.94 4.45 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 115.871 1.804 . . . . 50.0 115.871 173.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 9.1 t -115.78 -8.3 12.0 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.281 1.215 . . . . 25.0 114.281 -179.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -152.99 136.16 15.65 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.324 0.49 . . . . 25.0 112.324 -178.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 1.5 pt? . . . . . 0 N--CA 1.467 0.393 0 N-CA-C 105.622 -1.992 . . . . 50.0 105.622 178.257 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 119.724 -0.179 . . . . 50.0 111.233 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.76 -57.17 4.29 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.234 0.54 . . . . 50.0 109.883 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 22.3 ptp -57.74 -25.46 60.44 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.674 -0.81 . . . . 50.0 111.091 178.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -54.45 36.16 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.545 -0.752 . . . . 50.0 110.791 179.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -72.78 -31.67 65.04 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.246 -0.434 . . . . 50.0 110.001 -177.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -59.11 -48.65 80.84 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.476 -0.564 . . . . 50.0 109.476 174.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -65.27 -45.37 84.79 Favored 'General case' 0 CA--C 1.508 -0.635 0 O-C-N 122.252 -0.28 . . . . 50.0 110.511 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -62.46 -39.24 92.76 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.554 0.575 . . . . 25.0 112.554 -178.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 44.5 m -66.86 -43.96 82.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 118.198 0.454 . . . . 25.0 110.842 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -41.19 97.42 Favored 'General case' 0 C--O 1.208 -1.11 0 N-CA-C 108.597 -0.89 . . . . 50.0 108.597 177.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.42 -32.52 71.54 Favored 'General case' 0 C--O 1.22 -0.498 0 N-CA-C 112.798 0.666 . . . . 50.0 112.798 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -67.19 -37.3 83.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.058 0.456 . . . . 50.0 110.371 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -87.21 -35.79 18.35 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.016 -0.538 . . . . 50.0 110.09 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -88.57 69.68 8.87 Favored 'General case' 0 CA--C 1.502 -0.897 0 CA-C-O 122.613 1.197 . . . . 50.0 108.457 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 27.3 mtp-105 -75.44 -1.99 26.61 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 113.964 -1.471 . . . . 50.0 110.913 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -95.26 -11.41 27.99 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 107.722 -1.214 . . . . 50.0 107.722 178.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 53.22 36.28 22.2 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 114.474 -1.239 . . . . 25.0 111.849 -178.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 45.2 t -69.13 -27.35 65.48 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.902 -1.045 . . . . 25.0 110.572 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 94.63 1.63 63.74 Favored Glycine 0 C--O 1.241 0.561 0 N-CA-C 109.003 -1.639 . . . . 50.0 109.003 -177.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -149.56 154.94 39.5 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 123.536 0.734 . . . . 25.0 109.189 -175.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 766' ' ' LEU . . . . . 0.436 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 14.5 mt -137.2 173.43 11.7 Favored 'General case' 0 CA--C 1.503 -0.844 0 N-CA-C 108.1 -1.074 . . . . 50.0 108.1 177.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.65 171.01 54.53 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 109.025 -1.63 . . . . 50.0 109.025 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -66.98 -34.05 30.49 Favored 'Trans proline' 0 C--O 1.221 -0.36 0 CA-C-N 118.499 1.15 . . . . 50.0 112.176 -178.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -74.42 -37.41 63.33 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.099 0.476 . . . . 50.0 111.029 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 82.0 mm-40 -64.28 -55.02 24.27 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.719 -0.474 . . . . 50.0 109.719 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 771' ' ' PHE . . . . . 0.436 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.4 OUTLIER -58.01 -33.52 69.04 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 112.677 0.621 . . . . 50.0 112.677 174.688 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -60.79 -46.99 88.34 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.056 0.844 . . . . 50.0 110.487 176.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -73.42 -24.21 60.23 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.467 0.651 . . . . 25.0 111.016 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 50.1 t -64.86 -35.1 80.05 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.726 -0.842 . . . . 50.0 108.726 176.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 10.6 mt -66.11 -33.94 76.92 Favored 'General case' 0 C--O 1.21 -0.983 0 CA-C-O 121.083 0.468 . . . . 75.0 109.983 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.99 -32.75 48.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 121.125 0.488 . . . . 50.0 110.301 -177.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 16.1 m -62.96 -20.73 65.53 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.158 0.429 . . . . 50.0 112.158 178.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 19.2 mt -92.61 -20.55 20.76 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.192 -0.458 . . . . 50.0 110.463 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 121.39 30.97 1.21 Allowed Glycine 0 N--CA 1.463 0.497 0 CA-C-N 115.802 -0.636 . . . . 50.0 114.563 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -98.58 143.34 29.09 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 105.628 -1.99 . . . . 50.0 105.628 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -101.78 31.07 4.01 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.723 0.773 . . . . 50.0 110.861 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 77.8 mt . . . . . 0 C--N 1.326 -0.448 0 N-CA-C 105.285 -2.117 . . . . 50.0 105.285 -178.202 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -1.289 0 N-CA-C 108.985 -1.646 . . . . 50.0 108.985 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.82 -33.36 70.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 118.441 1.12 . . . . 50.0 111.924 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -62.54 -38.29 89.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.444 -0.344 . . . . 25.0 111.055 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -92.89 -20.47 20.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.856 0.836 . . . . 50.0 111.561 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.56 -33.31 70.98 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 107.251 -1.388 . . . . 50.0 107.251 175.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -60.01 -33.38 71.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.467 -0.333 . . . . 25.0 111.663 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -82.12 -28.4 32.25 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 108.751 -0.833 . . . . 50.0 108.751 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 52.4 mt -69.43 -50.77 48.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.791 -0.448 . . . . 50.0 109.791 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 27.3 ptm -60.59 -31.67 70.81 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-O 120.781 0.325 . . . . 50.0 110.943 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 71.2 m -67.76 -20.31 65.21 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.402 0.519 . . . . 25.0 112.402 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 69.2 mt -95.19 -47.65 13.08 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.6 0 CA-C-O 121.131 0.491 . . . . 50.0 111.088 -177.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 31.5 m -76.27 -14.4 14.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.98 -0.554 . . . . 50.0 111.741 -177.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -154.08 68.53 6.05 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-O 121.725 0.774 . . . . 50.0 110.842 -176.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -70.94 -13.11 31.5 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 117.309 -1.327 . . . . 50.0 112.555 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.19 -7.86 57.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.793 -177.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 58.47 47.2 13.94 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 121.644 0.735 . . . . 50.0 111.2 -178.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 85.5 mt -70.98 -25.36 62.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.737 -1.12 . . . . 50.0 108.05 175.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 88.43 20.23 49.24 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.253 -0.885 . . . . 50.0 111.798 178.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 6.1 m -145.16 152.54 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 CA-C-N 117.137 0.469 . . . . 50.0 110.405 -176.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 14.1 t -130.74 131.48 64.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.908 -0.775 . . . . 50.0 108.908 179.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.2 161.36 13.85 Favored 'General case' 0 CA--C 1.502 -0.88 0 N-CA-C 109.305 -0.628 . . . . 25.0 109.305 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -53.65 -42.91 68.33 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 115.203 -0.908 . . . . 50.0 110.053 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -21.12 59.61 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 121.756 -0.59 . . . . 50.0 109.714 -174.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -76.93 -41.78 42.03 Favored 'General case' 0 C--O 1.215 -0.731 0 C-N-CA 120.373 -0.531 . . . . 25.0 111.225 -178.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.421 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 0.9 OUTLIER -67.59 -30.53 70.16 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 118.742 -1.183 . . . . 50.0 109.65 177.066 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 17.1 mm -64.05 -26.84 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-O 121.362 0.601 . . . . 50.0 109.968 177.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.56 -49.99 75.32 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.275 -0.639 . . . . 50.0 109.275 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 815' ' ' PHE . . . . . 0.421 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.8 p90 . . . . . 0 C--O 1.209 -1.049 0 C-N-CA 119.005 -1.078 . . . . 50.0 111.321 -177.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.59 0 N-CA-C 109.375 -0.602 . . . . 50.0 109.375 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.74 -41.73 91.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.933 -0.576 . . . . 25.0 110.409 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 60.1 p -60.22 -41.37 92.93 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.17 0.433 . . . . 50.0 112.17 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -68.45 -34.32 75.75 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.798 -0.564 . . . . 50.0 109.763 -179.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -68.2 -21.32 64.87 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.59 0.589 . . . . 50.0 112.59 -178.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 72.5 mt -83.78 -39.66 15.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 108.599 -0.889 . . . . 50.0 108.599 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.72 -29.83 25.24 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.052 -0.659 . . . . 50.0 111.758 -175.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -108.59 17.35 22.09 Favored 'General case' 0 C--O 1.205 -1.266 0 CA-C-N 115.707 -0.679 . . . . 25.0 112.424 -178.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -58.12 -24.97 56.21 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 109.21 -1.556 . . . . 50.0 109.21 171.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -67.79 -25.33 65.54 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.897 0.703 . . . . 25.0 112.897 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -128.5 178.51 6.24 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 118.776 0.717 . . . . 50.0 111.119 -176.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -102.89 14.73 31.26 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.859 -0.793 . . . . 50.0 108.859 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -159.43 175.82 12.86 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.296 -1.001 . . . . 50.0 108.296 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -136.77 155.27 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 N-CA-C 108.09 -1.078 . . . . 50.0 108.09 -178.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 37.4 p -103.68 158.14 16.58 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.543 0.687 . . . . 25.0 109.811 172.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 72.4 mtm -58.81 -36.49 74.57 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.554 -1.203 . . . . 50.0 109.931 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -68.57 -35.9 78.03 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.716 -0.675 . . . . 25.0 112.265 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -71.62 -46.37 59.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 122.234 -0.291 . . . . 50.0 111.455 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.2 pp -68.38 -26.53 65.61 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.607 -0.437 . . . . 50.0 110.039 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 22.5 mtt-85 -64.79 -12.76 51.24 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.06 0.763 . . . . 50.0 113.06 177.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . 0.438 ' HG2' ' HG2' ' A' ' 851' ' ' GLU . 4.1 ptp85 -79.74 -29.46 40.58 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.102 0.477 . . . . 50.0 110.544 177.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . 0.438 ' HG2' ' HG2' ' A' ' 850' ' ' ARG . 52.4 mm-40 -82.6 -37.93 24.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.472 -0.785 . . . . 50.0 110.13 -172.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.94 79.04 69.4 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 108.483 -0.932 . . . . 50.0 108.483 176.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -54.53 -33.26 77.64 Favored 'Trans proline' 0 CA--C 1.55 1.304 0 N-CA-C 118.69 2.535 . . . . 25.0 118.69 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -77.03 -166.74 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 C-N-CA 114.667 -3.089 . . . . 50.0 112.792 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -51.88 -16.54 0.73 Allowed 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.953 1.464 . . . . 50.0 114.953 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -52.98 -35.81 59.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.923 -0.486 . . . . 50.0 111.365 176.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -65.81 -39.7 91.16 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 120.799 -0.361 . . . . 25.0 111.338 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -65.21 -42.23 93.68 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.588 -0.893 . . . . 50.0 108.588 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -65.86 -29.32 69.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.792 -0.64 . . . . 50.0 110.283 177.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 36.5 m -73.16 -40.84 64.52 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 109.658 -0.497 . . . . 50.0 109.658 178.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 19.8 mt -64.08 -37.28 79.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.069 -0.715 . . . . 50.0 109.069 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -68.16 -13.54 62.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.096 -0.502 . . . . 25.0 111.937 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -107.45 -33.25 7.41 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 112.819 0.674 . . . . 50.0 112.819 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 6.1 ttm -66.87 160.77 25.39 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 113.268 0.84 . . . . 50.0 113.268 -175.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -86.33 142.82 35.86 Favored Pre-proline 0 C--N 1.319 -0.744 0 N-CA-C 107.368 -1.345 . . . . 25.0 107.368 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -76.29 152.11 34.59 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 CA-C-N 118.69 0.568 . . . . 50.0 111.978 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -109.17 138.33 45.69 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 113.745 1.017 . . . . 50.0 113.745 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 59.4 m -140.26 123.62 16.93 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 105.14 -2.17 . . . . 25.0 105.14 172.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -177.94 -170.13 39.76 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.459 -0.876 . . . . 50.0 111.883 -177.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.72 -28.15 31.03 Favored 'Trans proline' 0 C--O 1.221 -0.338 0 CA-C-N 119.067 1.434 . . . . 50.0 114.494 -177.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -98.9 16.74 21.42 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.747 0.785 . . . . 50.0 109.832 -177.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 83.0 p -72.95 148.53 44.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 122.632 1.206 . . . . 50.0 113.524 -174.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 5.6 m -138.17 163.55 46.77 Favored Pre-proline 0 C--N 1.318 -0.779 0 N-CA-C 103.109 -2.922 . . . . 50.0 103.109 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.37 -7.91 21.49 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 116.949 -1.567 . . . . 50.0 115.381 -176.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -115.53 32.64 5.61 Favored Glycine 0 C--O 1.223 -0.566 0 N-CA-C 112.28 -0.328 . . . . 50.0 112.28 177.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -94.37 137.67 33.24 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.733 0.642 . . . . 25.0 112.733 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 49.4 mt -134.87 143.22 46.87 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 106.814 -1.55 . . . . 50.0 106.814 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -91.45 111.08 22.43 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 106.452 -1.685 . . . . 50.0 106.452 177.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -84.79 -33.24 23.02 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-O 121.603 0.716 . . . . 50.0 109.439 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 3.3 mtt -65.08 -24.31 67.42 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.766 -0.827 . . . . 50.0 108.766 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.8 t -89.96 -16.92 28.89 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.219 -0.901 . . . . 50.0 113.162 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -56.74 -39.1 73.35 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.141 0.793 . . . . 50.0 113.141 -177.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 24.4 m -58.2 -24.36 58.82 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.151 1.167 . . . . 50.0 114.151 178.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 14.7 t -109.09 -7.73 15.28 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.85 0.685 . . . . 25.0 112.85 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -153.71 127.6 8.89 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.232 0.456 . . . . 25.0 112.232 -177.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--N 1.325 -0.47 0 N-CA-C 106.188 -1.782 . . . . 50.0 106.188 177.671 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 . . . . . 0 N--CA 1.454 -0.24 0 CA-C-O 119.515 -0.278 . . . . 50.0 110.993 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.05 -55.85 7.38 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 121.247 0.546 . . . . 50.0 110.278 178.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 23.7 ptp -59.17 -26.27 64.64 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 119.566 -0.854 . . . . 50.0 110.385 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -56.37 20.31 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.052 -0.522 . . . . 50.0 109.778 178.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -72.0 -30.78 65.58 Favored 'General case' 0 C--O 1.215 -0.742 0 CA-C-N 116.674 -0.239 . . . . 50.0 110.881 -177.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -59.47 -50.45 73.88 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.917 -0.772 . . . . 50.0 108.917 175.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -65.25 -44.3 88.57 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 116.289 -0.414 . . . . 50.0 110.773 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -66.7 -37.93 85.73 Favored 'General case' 0 C--O 1.209 -1.034 0 N-CA-C 112.371 0.508 . . . . 25.0 112.371 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 43.4 m -69.09 -42.17 76.5 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 118.584 0.629 . . . . 25.0 111.21 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -41.74 98.21 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 107.942 -1.133 . . . . 50.0 107.942 176.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.92 -34.04 75.85 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.226 0.454 . . . . 50.0 112.226 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -69.38 -36.47 76.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.905 -0.497 . . . . 50.0 110.809 -177.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -84.65 -35.97 22.27 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 109.949 -0.389 . . . . 50.0 109.949 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -87.09 67.92 9.85 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-O 123.018 1.39 . . . . 50.0 108.385 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -72.29 -8.03 52.69 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 113.746 -1.57 . . . . 50.0 110.552 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -93.76 -0.14 56.05 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.671 -0.863 . . . . 50.0 108.671 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 20.5 p80 40.48 39.06 0.66 Allowed 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.252 1.421 . . . . 25.0 114.701 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 89.1 p -78.71 -19.5 52.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.671 -0.695 . . . . 25.0 111.306 -179.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 94.88 -1.31 65.38 Favored Glycine 0 C--O 1.242 0.603 0 N-CA-C 109.894 -1.282 . . . . 50.0 109.894 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 28.2 p -143.73 165.49 27.52 Favored 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 122.833 0.453 . . . . 25.0 110.755 -176.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 766' ' ' LEU . . . . . 0.466 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 15.2 mt -145.32 171.67 14.25 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 109.086 -0.709 . . . . 50.0 109.086 176.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.52 174.13 55.18 Favored Glycine 0 N--CA 1.451 -0.355 0 N-CA-C 111.002 -0.839 . . . . 50.0 111.002 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -68.78 -29.02 29.59 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 CA-C-N 118.601 1.2 . . . . 50.0 113.009 -176.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 63.9 tt0 -80.59 -37.91 30.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.059 0.457 . . . . 50.0 110.676 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -64.48 -54.12 37.52 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.089 -0.505 . . . . 50.0 110.882 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 771' ' ' PHE . . . . . 0.466 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -60.44 -28.07 68.01 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 113.198 0.814 . . . . 50.0 113.198 175.347 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -68.06 -44.88 75.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 118.628 0.649 . . . . 50.0 109.754 177.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -73.26 -24.41 60.44 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.293 0.568 . . . . 25.0 111.019 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 46.3 t -61.84 -35.35 77.99 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.161 -0.681 . . . . 50.0 109.161 175.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 16.2 mt -67.3 -33.04 74.44 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-O 120.816 0.341 . . . . 75.0 110.188 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.4 mt -59.04 -34.25 52.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 109.334 -0.617 . . . . 50.0 109.334 -177.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 15.7 m -64.1 -19.01 64.95 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.538 0.569 . . . . 50.0 112.538 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 18.8 mt -94.11 -18.12 22.1 Favored 'General case' 0 C--O 1.219 -0.536 0 O-C-N 123.81 0.693 . . . . 50.0 110.342 179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 115.26 35.32 1.34 Allowed Glycine 0 C--N 1.332 0.336 0 N-CA-C 114.924 0.73 . . . . 50.0 114.924 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -101.53 133.54 46.03 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.325 -0.991 . . . . 50.0 108.325 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -85.78 49.76 1.83 Allowed 'General case' 0 CA--C 1.546 0.825 0 CA-C-O 121.962 0.887 . . . . 50.0 110.158 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 52.4 mt . . . . . 0 C--N 1.328 -0.366 0 N-CA-C 108.567 -0.901 . . . . 50.0 108.567 -175.129 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.208 -1.476 0 N-CA-C 110.132 -1.187 . . . . 50.0 110.132 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.16 -35.95 76.47 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.697 -0.884 . . . . 50.0 110.798 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.02 85.86 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.409 -0.359 . . . . 25.0 111.471 -178.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -87.69 -25.99 23.21 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 121.761 0.791 . . . . 50.0 110.402 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -68.93 -35.09 76.4 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.821 -0.807 . . . . 50.0 108.821 178.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -60.8 -28.58 68.88 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-O 121.567 0.698 . . . . 25.0 111.165 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -79.34 -38.43 35.15 Favored 'General case' 0 CA--C 1.482 -1.653 0 CA-C-O 123.655 1.693 . . . . 75.0 111.06 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 57.5 mt -65.73 -47.75 84.8 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.404 0 CA-C-N 113.614 -1.63 . . . . 50.0 109.014 -176.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 25.8 ptm -62.98 -29.16 70.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.035 0.445 . . . . 50.0 110.657 -178.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 49.7 m -72.66 -17.73 61.63 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.891 0.33 . . . . 25.0 111.891 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 74.5 mt -95.19 -47.74 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.621 0 CA-C-O 121.07 0.462 . . . . 50.0 110.839 -177.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 33.2 m -74.81 -15.88 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.837 -0.62 . . . . 50.0 112.034 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -150.19 65.1 7.16 Favored Pre-proline 0 CA--C 1.541 0.627 0 N-CA-C 113.341 0.867 . . . . 50.0 113.341 -175.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -74.15 -5.46 17.01 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 117.543 -1.171 . . . . 50.0 111.528 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.77 -11.38 51.19 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.159 -0.473 . . . . 50.0 110.901 -178.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 60.12 47.44 9.48 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.82 0.848 . . . . 50.0 111.085 -177.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 89.1 mt -72.81 -26.46 61.51 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.997 -1.112 . . . . 50.0 107.997 175.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.01 18.25 61.49 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 114.907 -1.042 . . . . 50.0 110.927 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 13.9 m -149.18 158.06 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 109.713 -0.476 . . . . 50.0 109.713 -175.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 11.4 t -130.14 133.97 63.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.463 -0.569 . . . . 50.0 109.463 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.26 161.65 13.71 Favored 'General case' 0 CA--C 1.508 -0.66 0 N-CA-C 108.985 -0.746 . . . . 25.0 108.985 178.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -54.08 -41.24 68.01 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-O 121.787 0.804 . . . . 50.0 110.433 177.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -21.57 58.93 Favored 'General case' 0 C--N 1.316 -0.879 0 O-C-N 121.188 -0.945 . . . . 50.0 109.973 -175.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -75.8 -41.98 51.31 Favored 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 120.404 -0.518 . . . . 25.0 111.23 -177.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.8 -30.56 70.79 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 119.637 -0.825 . . . . 50.0 109.452 176.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 17.3 mm -64.81 -25.9 38.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 N-CA-C 109.663 -0.495 . . . . 50.0 109.663 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -63.15 -43.57 97.93 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 121.291 -0.881 . . . . 50.0 110.85 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.3 p90 . . . . . 0 C--N 1.328 -0.359 0 C-N-CA 119.022 -1.071 . . . . 50.0 111.355 177.33 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 9.5 tpt . . . . . 0 C--O 1.238 0.488 0 CA-C-O 121.529 0.68 . . . . 50.0 110.215 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -63.61 -36.22 83.1 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.697 -0.683 . . . . 25.0 110.405 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 57.7 p -61.89 -42.12 98.7 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 120.734 -0.386 . . . . 50.0 111.255 -178.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -64.66 -38.07 89.75 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 122.054 0.931 . . . . 50.0 110.07 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -69.32 -20.13 63.87 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.398 -0.819 . . . . 50.0 112.862 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 52.7 mt -81.25 -40.67 18.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 107.649 -1.241 . . . . 50.0 107.649 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.62 -31.63 24.13 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.849 -0.74 . . . . 50.0 111.654 -175.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -106.7 17.54 23.09 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 112.156 0.428 . . . . 25.0 112.156 -177.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -65.21 -8.71 38.22 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.75 -0.94 . . . . 50.0 110.75 173.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -80.64 -21.68 41.22 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 122.681 0.393 . . . . 25.0 110.021 175.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -129.82 -162.65 1.22 Allowed 'General case' 0 C--O 1.217 -0.651 0 CA-C-O 121.671 0.748 . . . . 50.0 110.69 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -120.21 11.71 11.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.217 -0.901 . . . . 50.0 108.727 178.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -157.59 173.35 16.99 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 107.117 -1.438 . . . . 50.0 107.117 -176.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -136.67 154.24 31.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 107.755 -1.202 . . . . 50.0 107.755 -176.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 40.6 p -102.33 160.67 14.33 Favored 'General case' 0 C--N 1.31 -1.135 0 O-C-N 120.869 -1.145 . . . . 25.0 109.021 173.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 74.3 mtm -59.75 -31.83 70.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.049 -0.978 . . . . 50.0 110.202 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -70.88 -42.66 69.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.312 0.577 . . . . 25.0 109.899 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -65.24 -45.72 83.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.272 -0.422 . . . . 50.0 111.889 -178.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.6 pp -71.15 -26.69 63.11 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.608 -0.837 . . . . 50.0 111.193 -177.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -71.75 -9.91 58.98 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.802 -0.561 . . . . 50.0 111.535 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . 0.403 ' HG2' ' HG2' ' A' ' 851' ' ' GLU . 6.0 ptm180 -71.06 -27.98 64.03 Favored 'General case' 0 C--O 1.221 -0.434 0 O-C-N 121.343 -0.848 . . . . 50.0 109.069 179.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . 0.403 ' HG2' ' HG2' ' A' ' 850' ' ' ARG . 13.4 mm-40 -83.8 -40.71 18.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.269 -0.878 . . . . 50.0 110.222 -176.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.81 82.03 65.58 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.372 -0.831 . . . . 50.0 109.409 -178.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -62.27 -26.85 77.58 Favored 'Trans proline' 0 CA--C 1.558 1.722 0 N-CA-C 118.635 2.514 . . . . 25.0 118.635 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -77.54 -162.62 0.18 Allowed 'Trans proline' 0 C--N 1.362 1.278 1 C-N-CA 113.249 -4.034 . . . . 50.0 111.953 177.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -55.51 -15.97 3.34 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 114.883 1.438 . . . . 50.0 114.883 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 22.4 mm100 -51.36 -38.58 53.99 Favored 'General case' 0 C--O 1.218 -0.556 0 O-C-N 121.867 -0.52 . . . . 50.0 111.485 174.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -66.31 -37.97 86.65 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 122.047 -0.408 . . . . 25.0 111.406 177.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -68.05 -38.85 82.94 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.144 -0.688 . . . . 50.0 109.144 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -65.62 -31.03 71.83 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.195 -0.669 . . . . 50.0 109.195 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 59.2 m -72.8 -42.66 63.67 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 109.887 -0.412 . . . . 50.0 109.887 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 23.8 mt -62.1 -38.49 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 109.572 -0.529 . . . . 50.0 109.572 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -63.84 -17.91 63.62 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.557 0.577 . . . . 25.0 112.557 177.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -109.01 -22.72 12.03 Favored 'General case' 0 C--O 1.219 -0.553 0 O-C-N 121.497 -0.752 . . . . 50.0 112.843 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 6.9 ttm -68.4 164.68 20.4 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-O 121.104 0.478 . . . . 50.0 111.356 -177.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -95.4 145.68 29.97 Favored Pre-proline 0 N--CA 1.44 -0.967 0 N-CA-C 107.023 -1.473 . . . . 25.0 107.023 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -75.85 154.58 38.66 Favored 'Trans proline' 0 CA--C 1.52 -0.185 0 CA-C-N 118.665 0.559 . . . . 50.0 112.331 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -112.38 131.4 55.56 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.188 0.518 . . . . 50.0 110.768 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 5.0 t -137.28 40.97 2.45 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 122.402 1.096 . . . . 25.0 108.313 -177.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -90.35 -170.48 43.7 Favored Glycine 0 C--O 1.227 -0.329 0 CA-C-N 115.38 -0.827 . . . . 50.0 114.085 -177.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -68.99 -30.31 26.06 Favored 'Trans proline' 0 C--O 1.217 -0.536 0 CA-C-N 118.319 1.059 . . . . 50.0 114.73 -178.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -98.95 28.68 4.22 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.77 0.795 . . . . 50.0 109.305 -177.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 59.7 p -77.19 152.35 34.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.962 0.887 . . . . 50.0 113.368 -175.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 13.7 m -136.61 161.75 60.12 Favored Pre-proline 0 C--N 1.318 -0.8 0 N-CA-C 105.227 -2.138 . . . . 50.0 105.227 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -58.71 -17.38 35.48 Favored 'Trans proline' 0 C--N 1.353 0.77 0 N-CA-C 115.733 1.397 . . . . 50.0 115.733 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -114.14 32.5 5.92 Favored Glycine 0 C--O 1.23 -0.128 0 C-N-CA 121.742 -0.266 . . . . 50.0 113.107 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -93.34 139.84 30.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.295 0.569 . . . . 25.0 112.152 -177.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 76.6 mt -136.39 141.88 43.7 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.401 -0.963 . . . . 50.0 108.401 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -89.9 104.39 16.96 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 106.418 -1.697 . . . . 50.0 106.418 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -78.61 -33.37 47.45 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.403 -0.817 . . . . 50.0 108.993 -177.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 11.1 ttp -62.78 -30.2 71.28 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.871 -0.788 . . . . 50.0 108.871 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 8.1 t -81.97 -24.36 35.54 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.075 -0.966 . . . . 50.0 112.646 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -56.76 -41.06 76.94 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 122.094 -0.379 . . . . 50.0 111.725 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 22.0 t -55.04 -19.99 8.37 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.723 1.008 . . . . 50.0 113.723 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 31.1 p -108.74 -17.63 13.9 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 114.059 1.133 . . . . 25.0 114.059 -177.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -156.93 142.43 17.49 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 -177.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.6 pt? . . . . . 0 C--O 1.222 -0.392 0 N-CA-C 107.57 -1.27 . . . . 50.0 107.57 177.034 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 . . . . . 0 C--O 1.223 -0.319 0 N-CA-C 110.661 -0.126 . . . . 50.0 110.661 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.43 -57.36 3.99 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.438 0.637 . . . . 50.0 110.092 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 24.8 ptp -57.59 -24.29 55.48 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.595 -0.691 . . . . 50.0 110.533 177.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.05 -56.17 21.7 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 110.221 -0.288 . . . . 50.0 110.221 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.92 -34.55 73.62 Favored 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 109.965 -0.383 . . . . 50.0 109.965 -177.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -59.73 -49.07 79.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.519 0.676 . . . . 50.0 110.131 176.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -67.4 -44.09 79.68 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 116.332 -0.395 . . . . 50.0 110.002 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.0 89.49 Favored 'General case' 0 C--O 1.209 -1.05 0 CA-C-O 119.385 -0.341 . . . . 25.0 111.324 -177.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 51.1 m -67.57 -44.36 78.39 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 118.406 0.548 . . . . 25.0 111.19 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -41.44 97.0 Favored 'General case' 0 C--O 1.206 -1.201 0 N-CA-C 108.591 -0.892 . . . . 50.0 108.591 176.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.73 -31.58 69.64 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 112.817 0.673 . . . . 50.0 112.817 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -68.13 -32.72 73.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.854 -0.529 . . . . 50.0 110.178 -178.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -91.1 -38.69 12.6 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 109.1 -0.704 . . . . 50.0 109.1 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -89.84 69.57 7.56 Favored 'General case' 0 CA--C 1.498 -1.019 0 CA-C-O 122.506 1.146 . . . . 50.0 109.657 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -78.74 -0.87 31.99 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.357 -1.292 . . . . 50.0 110.766 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -92.27 -11.52 35.03 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.657 -0.868 . . . . 50.0 108.657 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 54.02 38.14 28.31 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.243 1.017 . . . . 25.0 111.159 -178.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 33.8 t -70.63 -23.51 62.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 122.298 1.046 . . . . 25.0 109.541 177.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 88.52 0.61 81.91 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 109.663 -1.375 . . . . 50.0 109.663 -178.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 5.9 p -148.16 159.8 43.57 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 108.557 -0.905 . . . . 25.0 108.557 -176.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 766' ' ' LEU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 16.0 mt -141.76 172.72 12.3 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 108.401 -0.962 . . . . 50.0 108.401 177.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -78.04 172.7 55.21 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.268 -0.733 . . . . 50.0 111.268 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -66.88 -30.13 40.56 Favored 'Trans proline' 0 C--O 1.224 -0.201 0 CA-C-N 118.636 1.218 . . . . 50.0 112.512 -177.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -82.28 -36.99 26.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.169 0.509 . . . . 50.0 111.249 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.03 -54.33 39.89 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 121.193 0.52 . . . . 50.0 110.218 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 771' ' ' PHE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.4 OUTLIER -60.79 -30.75 70.23 Favored 'General case' 0 C--O 1.214 -0.804 0 N-CA-C 113.071 0.767 . . . . 50.0 113.071 174.865 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -64.16 -44.66 91.39 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 118.829 0.741 . . . . 50.0 109.633 177.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -74.17 -23.55 59.25 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.6 0.714 . . . . 25.0 111.843 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 42.1 t -63.35 -35.96 82.12 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.482 -0.933 . . . . 50.0 108.482 175.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 17.1 mt -65.73 -32.91 74.73 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 120.885 0.374 . . . . 75.0 110.845 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 65.3 mt -59.18 -33.55 50.97 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 N-CA-C 109.581 -0.526 . . . . 50.0 109.581 -177.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 16.4 m -65.2 -18.25 65.16 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.608 0.596 . . . . 50.0 112.608 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 22.8 mt -94.7 -18.05 21.65 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-O 121.725 0.774 . . . . 50.0 110.404 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 115.47 35.48 1.29 Allowed Glycine 0 C--N 1.329 0.171 0 CA-C-N 115.121 -0.945 . . . . 50.0 114.93 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -101.24 134.2 44.65 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.764 -0.828 . . . . 50.0 108.764 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -85.08 48.74 1.61 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.913 0.885 . . . . 50.0 110.86 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 41.5 mt . . . . . 0 C--N 1.327 -0.408 0 N-CA-C 107.971 -1.122 . . . . 50.0 107.971 -174.174 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.206 -1.601 0 N-CA-C 108.704 -1.758 . . . . 50.0 108.704 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -60.34 -34.81 74.36 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.55 -0.971 . . . . 50.0 112.096 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.5 -36.8 84.98 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.762 -0.199 . . . . 25.0 111.35 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -88.76 -28.5 20.45 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.474 0.654 . . . . 50.0 110.956 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -66.87 -34.5 77.93 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.338 -0.986 . . . . 50.0 108.338 178.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -60.37 -29.1 68.71 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.464 0.649 . . . . 25.0 110.796 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -79.78 -39.79 30.14 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.025 -1.102 . . . . 50.0 108.025 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 58.4 mt -63.72 -49.95 79.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 114.831 -1.077 . . . . 50.0 110.584 -176.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 5.6 ptt? -60.73 -24.77 65.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.035 0.445 . . . . 50.0 111.99 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 50.8 m -78.6 -18.39 54.64 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.987 0.423 . . . . 25.0 111.453 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 63.8 mt -94.23 -49.56 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.718 0 CA-C-O 121.294 0.569 . . . . 50.0 110.29 -178.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 22.0 m -76.4 -11.94 14.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.724 -0.671 . . . . 50.0 112.731 -176.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -153.04 68.71 6.75 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.565 -0.743 . . . . 50.0 111.705 -177.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -74.43 -12.73 22.83 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 116.848 -1.635 . . . . 50.0 112.133 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.85 -5.49 59.23 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 120.97 0.414 . . . . 50.0 110.918 -177.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 57.76 45.1 19.32 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 121.929 0.871 . . . . 50.0 112.427 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 85.1 mt -70.13 -23.41 63.01 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.406 -1.27 . . . . 50.0 108.695 176.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 84.52 18.43 62.12 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.324 -0.853 . . . . 50.0 111.396 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 11.1 m -147.07 159.42 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 109.331 -0.618 . . . . 50.0 109.331 -175.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 16.8 t -131.71 135.23 59.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 123.265 0.626 . . . . 50.0 109.442 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 9.0 t -100.56 158.92 15.57 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.522 -0.547 . . . . 25.0 109.522 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -50.52 -45.92 56.94 Favored 'General case' 0 C--O 1.22 -0.447 0 CA-C-O 121.611 0.719 . . . . 50.0 111.421 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -22.11 62.12 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.037 -0.665 . . . . 50.0 110.34 -175.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -75.79 -40.09 55.76 Favored 'General case' 0 C--O 1.217 -0.653 0 C-N-CA 119.728 -0.789 . . . . 25.0 111.491 -177.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.427 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.0 OUTLIER -68.66 -31.87 71.31 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.114 -0.991 . . . . 50.0 110.012 177.43 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 18.1 mm -63.3 -27.92 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-O 121.428 0.633 . . . . 50.0 109.816 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -61.08 -42.51 98.63 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 121.523 -0.735 . . . . 50.0 110.817 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 815' ' ' PHE . . . . . 0.427 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.1 p90 . . . . . 0 C--N 1.327 -0.389 0 C-N-CA 119.345 -0.942 . . . . 50.0 112.267 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.593 0 N-CA-C 109.263 -0.643 . . . . 50.0 109.263 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.99 96.09 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.091 -0.337 . . . . 25.0 110.091 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 8.6 t -59.91 -47.52 85.42 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 121.011 -0.276 . . . . 50.0 110.929 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -62.14 -41.44 98.27 Favored 'General case' 0 C--O 1.202 -1.439 0 C-N-CA 119.962 -0.695 . . . . 50.0 109.368 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -57.33 -26.03 60.3 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.914 0.709 . . . . 50.0 112.914 -176.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 46.3 mt -74.82 -45.17 44.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.786 -0.45 . . . . 50.0 109.786 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.93 -26.03 27.49 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.757 0.789 . . . . 50.0 112.148 -176.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -85.07 -12.63 52.57 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.864 -0.607 . . . . 25.0 112.615 -176.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -56.54 -22.88 40.7 Favored Glycine 0 CA--C 1.526 0.729 0 O-C-N 123.817 0.698 . . . . 50.0 114.292 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.49 -20.94 64.63 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 120.807 0.337 . . . . 25.0 111.045 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -132.6 -156.94 0.78 Allowed 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 108.08 -1.081 . . . . 50.0 108.08 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -125.87 18.01 7.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.359 0.6 . . . . 50.0 109.643 174.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -160.15 177.57 10.55 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 106.94 -1.504 . . . . 50.0 106.94 -178.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -134.63 151.35 31.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 107.871 -1.159 . . . . 50.0 107.871 -177.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 67.3 p -98.59 159.96 14.6 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 119.822 -0.751 . . . . 25.0 109.822 173.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 71.7 mtm -57.85 -31.84 67.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.765 -1.107 . . . . 50.0 111.906 176.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -73.83 -40.73 63.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.526 0.679 . . . . 25.0 110.73 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -64.88 -47.37 78.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.969 -0.559 . . . . 50.0 111.27 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.9 pp -65.92 -26.4 67.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.399 -0.813 . . . . 50.0 111.077 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -74.85 -11.42 60.14 Favored 'General case' 0 C--O 1.221 -0.405 0 O-C-N 121.831 -0.543 . . . . 50.0 110.714 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.53 -26.89 61.92 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 109.115 -0.698 . . . . 50.0 109.115 176.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -86.19 -43.45 12.99 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.931 -0.577 . . . . 50.0 110.661 -176.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.69 79.66 71.43 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.619 -0.719 . . . . 50.0 109.322 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -59.7 -27.39 84.83 Favored 'Trans proline' 0 CA--C 1.551 1.327 0 N-CA-C 119.329 2.781 . . . . 25.0 119.329 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -75.71 -165.03 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 113.939 -3.574 . . . . 50.0 112.534 177.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -52.33 -16.2 0.8 Allowed 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.616 1.339 . . . . 50.0 114.616 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -54.07 -37.36 64.12 Favored 'General case' 0 C--O 1.214 -0.801 0 O-C-N 121.494 -0.754 . . . . 50.0 110.813 174.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.37 -38.67 92.07 Favored 'General case' 0 C--O 1.209 -1.056 0 N-CA-C 110.383 -0.228 . . . . 25.0 110.383 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -69.53 -37.03 76.94 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.325 0.583 . . . . 50.0 109.774 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -67.27 -32.78 74.02 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.306 -0.998 . . . . 50.0 108.306 176.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 60.3 m -72.79 -42.26 64.11 Favored 'General case' 0 C--O 1.207 -1.164 0 N-CA-C 109.878 -0.415 . . . . 50.0 109.878 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 20.0 mt -62.07 -41.82 92.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.588 -0.893 . . . . 50.0 108.588 178.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -62.75 -27.19 69.11 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 112.159 0.429 . . . . 25.0 112.159 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -99.22 -18.23 17.73 Favored 'General case' 0 C--O 1.209 -1.05 0 N-CA-C 112.877 0.695 . . . . 50.0 112.877 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 9.3 ttm -75.28 166.3 23.84 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 118.498 0.59 . . . . 50.0 111.264 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -96.65 145.71 30.05 Favored Pre-proline 0 C--N 1.321 -0.658 0 N-CA-C 107.557 -1.275 . . . . 25.0 107.557 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -75.7 148.94 33.26 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 120.655 0.904 . . . . 50.0 112.853 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -112.55 123.08 49.49 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 113.782 1.03 . . . . 50.0 113.782 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 70.5 p -126.1 43.75 3.01 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 109.303 -0.628 . . . . 25.0 109.303 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -87.53 -169.82 45.87 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 121.347 -0.454 . . . . 50.0 113.497 -177.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -71.61 -21.96 24.93 Favored 'Trans proline' 0 C--N 1.348 0.513 0 CA-C-N 118.757 1.279 . . . . 50.0 114.876 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -103.73 21.6 15.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 122.08 0.943 . . . . 50.0 109.075 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 25.2 p -73.5 149.94 41.93 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 122.606 1.193 . . . . 50.0 113.566 -172.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 17.0 m -132.39 161.92 60.17 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 103.319 -2.845 . . . . 50.0 103.319 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -57.28 -23.0 51.97 Favored 'Trans proline' 0 C--N 1.35 0.611 0 N-CA-C 115.945 1.479 . . . . 50.0 115.945 -177.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -109.03 33.95 5.84 Favored Glycine 0 C--O 1.222 -0.629 0 C-N-CA 121.532 -0.366 . . . . 50.0 113.618 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -91.31 138.49 31.55 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 113.135 0.791 . . . . 25.0 113.135 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 66.1 mt -135.88 138.6 42.62 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.434 -0.951 . . . . 50.0 108.434 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -89.05 101.56 14.21 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 106.6 -1.629 . . . . 50.0 106.6 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -71.56 -36.03 70.81 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 114.637 -1.165 . . . . 50.0 109.359 -177.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.46 -26.72 67.33 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.219 0.533 . . . . 50.0 110.096 -177.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 4.6 t -84.8 -16.0 42.95 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.722 0.638 . . . . 50.0 112.722 -178.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -57.68 -38.38 75.05 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.838 0.351 . . . . 50.0 111.271 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.13 -18.68 3.97 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 114.434 1.272 . . . . 50.0 114.434 174.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 37.0 p -109.42 -14.17 14.47 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 114.605 1.335 . . . . 25.0 114.605 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -158.49 150.42 21.42 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.732 1.012 . . . . 25.0 113.732 -176.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 C--N 1.326 -0.445 0 N-CA-C 105.047 -2.205 . . . . 50.0 105.047 177.863 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 . . . . . 0 C--O 1.218 -0.566 0 CA-C-O 121.39 0.614 . . . . 50.0 111.35 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.52 -55.89 13.43 Favored 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 108.718 -0.845 . . . . 50.0 108.718 177.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 21.4 ptp -59.66 -23.95 63.49 Favored 'General case' 0 C--O 1.21 -1.015 0 C-N-CA 119.548 -0.861 . . . . 50.0 111.318 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.91 -55.69 23.81 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.939 -0.763 . . . . 50.0 108.939 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.01 -34.73 75.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.888 0.313 . . . . 50.0 110.694 -178.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -59.3 -50.23 74.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.053 -0.405 . . . . 50.0 110.666 175.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -66.71 -41.74 87.48 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 109.456 -0.572 . . . . 50.0 109.456 -178.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.87 -39.63 90.9 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 112.375 0.509 . . . . 25.0 112.375 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 48.8 m -66.95 -43.53 82.9 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 118.4 0.546 . . . . 25.0 109.958 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -41.88 97.4 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 108.569 -0.9 . . . . 50.0 108.569 177.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.0 -33.91 76.6 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.946 0.721 . . . . 50.0 112.946 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -69.4 -37.06 77.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.429 0.633 . . . . 50.0 110.266 -178.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -84.81 -35.92 22.0 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 108.472 -0.936 . . . . 50.0 108.472 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -94.33 70.84 3.77 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 122.616 1.198 . . . . 50.0 109.453 -178.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 20.8 mtm105 -80.69 1.05 31.73 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.302 -1.317 . . . . 50.0 110.361 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -94.89 -10.86 29.94 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.201 -1.407 . . . . 50.0 107.201 177.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 51.43 39.04 23.53 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.745 1.218 . . . . 25.0 112.353 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 15.7 m -71.99 -23.12 61.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.568 -0.742 . . . . 25.0 109.745 177.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 90.93 2.05 72.27 Favored Glycine 0 C--O 1.239 0.428 0 N-CA-C 109.136 -1.586 . . . . 50.0 109.136 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -150.65 156.18 40.83 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 123.702 0.801 . . . . 25.0 108.876 -175.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 766' ' ' LEU . . . . . 0.436 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 22.6 mt -137.36 174.55 10.48 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 107.4 -1.333 . . . . 50.0 107.4 176.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -84.5 -178.66 51.38 Favored Glycine 0 C--O 1.241 0.585 0 N-CA-C 111.331 -0.707 . . . . 50.0 111.331 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.4 -27.79 22.97 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 121.623 1.548 . . . . 50.0 114.096 -175.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -85.83 -37.74 18.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.052 0.453 . . . . 50.0 110.007 -178.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -66.78 -50.76 61.65 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 116.01 -0.541 . . . . 50.0 111.077 -178.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 771' ' ' PHE . . . . . 0.436 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -62.3 -32.53 73.28 Favored 'General case' 0 C--O 1.213 -0.852 0 C-N-CA 120.222 -0.591 . . . . 50.0 112.096 173.769 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -62.67 -44.62 95.8 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 118.682 0.674 . . . . 50.0 110.097 177.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -73.63 -24.88 60.08 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.073 0.463 . . . . 25.0 110.322 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 45.4 t -62.93 -35.3 79.63 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.537 -0.542 . . . . 50.0 109.537 178.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 14.5 mt -66.75 -31.22 71.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.691 -0.686 . . . . 75.0 111.964 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 66.3 mt -59.42 -34.61 54.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 O-C-N 121.645 -0.659 . . . . 50.0 109.928 -177.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.41 -21.66 64.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.986 -0.552 . . . . 50.0 112.118 178.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 14.9 mt -94.16 -16.36 23.79 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 123.492 0.495 . . . . 50.0 110.906 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 117.6 30.65 1.8 Allowed Glycine 0 C--O 1.218 -0.845 0 CA-C-N 116.052 -0.522 . . . . 50.0 114.353 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -99.36 131.83 45.11 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 109.461 -0.57 . . . . 50.0 109.461 -177.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -83.97 46.9 1.24 Allowed 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 122.341 1.067 . . . . 50.0 110.588 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 29.6 mt . . . . . 0 C--O 1.221 -0.428 0 N-CA-C 107.498 -1.297 . . . . 50.0 107.498 -175.375 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.207 -1.554 0 N-CA-C 109.023 -1.631 . . . . 50.0 109.023 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.51 -35.77 78.63 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 121.636 -0.92 . . . . 50.0 111.831 177.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.21 -38.56 91.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.742 0.306 . . . . 25.0 111.263 -179.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -87.13 -28.44 22.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.242 0.544 . . . . 50.0 110.729 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -31.61 72.47 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.402 -0.962 . . . . 50.0 108.402 177.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -60.33 -28.7 68.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.654 0.74 . . . . 25.0 110.753 177.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -77.6 -42.28 35.62 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 108.312 -0.995 . . . . 50.0 108.312 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 68.3 mt -64.15 -49.86 79.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 114.079 -1.419 . . . . 50.0 110.49 -174.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 16.3 ptt? -61.33 -25.15 66.95 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 116.579 -0.282 . . . . 50.0 111.616 -178.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 49.9 m -76.83 -19.61 57.33 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 116.561 -0.29 . . . . 25.0 111.539 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 77.8 mt -92.45 -49.34 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-O 121.767 0.794 . . . . 50.0 109.718 -178.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 18.8 m -76.18 -13.21 14.73 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 CA-C-N 115.175 -0.92 . . . . 50.0 112.888 -176.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -154.14 68.15 5.91 Favored Pre-proline 0 C--O 1.25 1.094 0 CA-C-N 115.306 -0.861 . . . . 50.0 112.125 -175.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -72.98 -12.89 26.24 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 117.624 -1.117 . . . . 50.0 111.75 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.17 -5.3 59.34 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 110.475 -0.194 . . . . 50.0 110.475 -178.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 57.92 42.16 23.43 Favored 'General case' 0 C--O 1.219 -0.509 0 O-C-N 124.597 1.185 . . . . 50.0 111.648 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 83.5 mt -69.17 -25.94 64.6 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.808 -1.087 . . . . 50.0 109.806 177.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 84.31 22.08 55.2 Favored Glycine 0 C--O 1.224 -0.514 0 N-CA-C 111.135 -0.786 . . . . 50.0 111.135 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 5.6 m -146.0 155.42 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 109.145 -0.687 . . . . 50.0 109.145 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 14.0 t -132.07 133.25 60.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.41 -0.814 . . . . 50.0 110.084 -177.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.38 160.66 14.2 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 109.027 -0.731 . . . . 25.0 109.027 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -52.26 -42.95 64.09 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.41 0.624 . . . . 50.0 110.862 177.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -23.23 60.3 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.722 -0.611 . . . . 50.0 109.565 -174.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -73.96 -42.47 60.47 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 119.602 -0.839 . . . . 25.0 111.549 -176.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.414 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.4 p90 -68.27 -30.31 69.3 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 119.198 -1.001 . . . . 50.0 109.919 179.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 16.3 mm -62.15 -27.22 42.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.393 0.616 . . . . 50.0 110.767 177.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -62.87 -41.11 99.26 Favored 'General case' 0 C--N 1.319 -0.74 0 O-C-N 121.749 -0.595 . . . . 50.0 110.768 -178.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 815' ' ' PHE . . . . . 0.414 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 5.8 p90 . . . . . 0 CA--C 1.515 -0.387 0 C-N-CA 119.352 -0.939 . . . . 50.0 112.062 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 2.6 ttm . . . . . 0 C--O 1.238 0.45 0 CA-C-O 121.336 0.588 . . . . 50.0 110.306 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -61.96 -37.31 84.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.088 -0.505 . . . . 25.0 109.737 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 27.0 m -63.05 -43.39 98.78 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.896 0.379 . . . . 50.0 110.079 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -66.6 -35.48 80.31 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 121.449 -0.782 . . . . 50.0 110.797 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -61.12 -27.73 68.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.304 -0.407 . . . . 50.0 111.469 -177.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 53.0 mt -72.84 -46.03 54.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.139 -0.689 . . . . 50.0 109.139 -178.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.8 -23.56 31.4 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.698 -0.801 . . . . 50.0 111.239 -173.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -107.66 16.51 23.62 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 112.531 0.567 . . . . 25.0 112.531 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -65.06 -25.04 70.69 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 108.668 -1.773 . . . . 50.0 108.668 173.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -69.37 -19.69 63.84 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.017 0.377 . . . . 25.0 112.017 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -131.47 -170.04 2.3 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-O 121.334 0.587 . . . . 50.0 109.677 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -111.09 14.52 21.88 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.956 -0.465 . . . . 50.0 110.857 174.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -160.13 178.19 9.92 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 115.976 -0.556 . . . . 50.0 109.563 -177.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -133.68 151.66 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 N-CA-C 108.921 -0.77 . . . . 50.0 108.921 -179.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 58.1 p -99.66 159.09 15.31 Favored 'General case' 0 C--N 1.314 -0.976 0 O-C-N 121.416 -0.803 . . . . 25.0 109.231 174.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 71.3 mtm -62.82 -29.95 71.11 Favored 'General case' 0 C--O 1.211 -0.968 0 CA-C-N 115.043 -0.981 . . . . 50.0 109.66 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -71.07 -41.97 70.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.892 0.377 . . . . 25.0 110.742 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -65.98 -50.84 62.9 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 122.018 -0.426 . . . . 50.0 111.024 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.6 pp -63.81 -22.02 66.71 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.155 -0.618 . . . . 50.0 112.444 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 67.4 mtt-85 -74.42 -15.14 60.92 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.307 -0.871 . . . . 50.0 112.187 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -78.24 -28.08 47.74 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 108.246 -1.02 . . . . 50.0 108.246 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -76.87 -46.4 24.71 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.453 -1.249 . . . . 50.0 110.617 -175.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.45 80.6 72.18 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 114.59 -1.186 . . . . 50.0 108.875 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -61.57 -23.59 76.73 Favored 'Trans proline' 0 CA--C 1.55 1.282 0 N-CA-C 119.196 2.729 . . . . 25.0 119.196 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -77.07 -167.29 0.45 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 C-N-CA 113.4 -3.933 . . . . 50.0 111.826 174.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -50.25 -17.12 0.4 Allowed 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 115.764 1.765 . . . . 50.0 115.764 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -54.54 -39.19 67.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.429 -0.794 . . . . 50.0 111.299 177.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -65.2 -38.05 89.23 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-O 120.803 0.335 . . . . 25.0 110.585 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -66.61 -39.58 88.42 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.669 0.747 . . . . 50.0 109.557 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -67.64 -31.29 71.21 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.492 -0.776 . . . . 50.0 109.467 177.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 56.0 m -71.2 -39.19 71.95 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 109.97 -0.382 . . . . 50.0 109.97 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 20.8 mt -63.63 -37.7 80.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.357 0.599 . . . . 50.0 110.459 178.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -69.08 -21.32 64.07 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.563 0.697 . . . . 25.0 110.612 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.35 -32.3 11.94 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 112.944 0.72 . . . . 50.0 112.944 -177.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 4.9 ttm -68.18 166.69 15.72 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-O 121.366 0.603 . . . . 50.0 111.782 -176.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -97.71 143.91 27.05 Favored Pre-proline 0 C--N 1.314 -0.947 0 N-CA-C 107.347 -1.353 . . . . 25.0 107.347 -178.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -73.76 148.01 40.68 Favored 'Trans proline' 0 C--O 1.232 0.183 0 CA-C-O 121.866 0.694 . . . . 50.0 112.028 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -108.53 131.7 54.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.416 -0.811 . . . . 50.0 111.535 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 5.2 t -136.69 41.27 2.54 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 122.128 0.966 . . . . 25.0 108.829 -178.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -90.94 -167.92 41.68 Favored Glycine 0 N--CA 1.461 0.311 0 CA-C-N 115.646 -0.706 . . . . 50.0 113.886 -177.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -68.6 -28.2 31.72 Favored 'Trans proline' 0 C--O 1.21 -0.899 0 CA-C-N 118.53 1.165 . . . . 50.0 113.936 -177.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -96.7 19.63 12.15 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 123.115 0.566 . . . . 50.0 109.55 -175.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 81.8 p -72.96 149.09 43.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.596 1.189 . . . . 50.0 113.837 -171.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 15.7 m -137.79 162.65 53.21 Favored Pre-proline 0 C--N 1.32 -0.703 0 N-CA-C 105.442 -2.058 . . . . 50.0 105.442 -178.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -60.44 0.98 0.58 Allowed 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 122.268 1.979 . . . . 50.0 116.975 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -137.03 35.49 2.08 Favored Glycine 0 C--O 1.223 -0.577 0 N-CA-C 111.506 -0.637 . . . . 50.0 111.506 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -93.99 138.08 32.49 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.335 0.588 . . . . 25.0 112.346 -177.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 87.1 mt -137.94 139.91 40.01 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 107.513 -1.291 . . . . 50.0 107.513 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -91.12 103.93 16.56 Favored 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 107.326 -1.361 . . . . 50.0 107.326 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -73.86 -31.58 63.23 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 115.438 -0.801 . . . . 50.0 110.076 -177.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 3.8 ttm -68.74 -28.8 67.14 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.362 1.077 . . . . 50.0 109.311 -178.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.3 t -82.97 -20.71 34.68 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.776 -1.102 . . . . 50.0 112.874 -176.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -56.52 -36.8 69.61 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.334 0.494 . . . . 50.0 112.334 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 32.9 t -55.09 -18.3 5.26 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 114.146 1.165 . . . . 50.0 114.146 174.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 30.8 p -100.98 -25.44 14.07 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 114.013 1.116 . . . . 25.0 114.013 -177.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -163.22 160.14 23.65 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.041 0.448 . . . . 25.0 112.093 -177.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 1.7 pt? . . . . . 0 C--N 1.327 -0.378 0 N-CA-C 104.608 -2.368 . . . . 50.0 104.608 176.117 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 C--O 1.221 -0.413 0 CA-C-O 119.508 -0.282 . . . . 50.0 110.688 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.79 -58.05 5.84 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 118.782 0.719 . . . . 50.0 110.391 176.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 21.6 ptp -57.89 -26.82 62.67 Favored 'General case' 0 C--O 1.218 -0.596 0 C-N-CA 119.965 -0.694 . . . . 50.0 111.251 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -53.78 49.88 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.751 -0.659 . . . . 50.0 109.914 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -73.79 -30.07 62.54 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 122.414 -0.179 . . . . 50.0 110.676 -176.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -61.31 -49.62 76.28 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.149 -0.685 . . . . 50.0 109.149 174.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 3.6 mtp-105 -65.12 -42.69 93.67 Favored 'General case' 0 C--O 1.217 -0.63 0 N-CA-C 109.743 -0.466 . . . . 50.0 109.743 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -67.7 -38.69 84.0 Favored 'General case' 0 C--O 1.213 -0.824 0 N-CA-C 113.045 0.757 . . . . 25.0 113.045 -177.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 21.6 t -70.44 -42.61 71.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 119.107 0.867 . . . . 25.0 109.814 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -41.48 91.19 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 107.752 -1.203 . . . . 50.0 107.752 177.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.03 -31.49 69.16 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.747 0.647 . . . . 50.0 112.747 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -70.35 -35.84 73.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.52 -0.738 . . . . 50.0 110.411 -178.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -83.03 -37.79 23.45 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 108.583 -0.895 . . . . 50.0 108.583 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -91.42 70.69 6.0 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 122.584 1.183 . . . . 50.0 109.022 -178.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 69.9 mtm-85 -75.38 -5.43 44.85 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.475 -1.239 . . . . 50.0 110.644 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -95.54 -1.17 51.1 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.087 -1.079 . . . . 50.0 108.087 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 23.6 p80 42.34 36.96 0.82 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.58 1.552 . . . . 25.0 114.723 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 30.6 t -70.45 -25.06 63.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.722 0.772 . . . . 25.0 109.981 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 91.8 1.53 70.58 Favored Glycine 0 C--O 1.237 0.294 0 N-CA-C 109.028 -1.629 . . . . 50.0 109.028 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -148.3 153.84 39.2 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 123.372 0.669 . . . . 25.0 109.694 -176.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 766' ' ' LEU . . . . . 0.457 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 19.8 mt -139.21 172.94 12.1 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 108.231 -1.026 . . . . 50.0 108.231 177.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.58 173.95 54.85 Favored Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 110.207 -1.157 . . . . 50.0 110.207 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -67.61 -32.07 31.74 Favored 'Trans proline' 0 C--N 1.347 0.486 0 CA-C-N 117.482 0.641 . . . . 50.0 113.099 -176.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -79.1 -36.51 40.59 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 121.9 -0.5 . . . . 50.0 110.354 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -66.77 -52.14 47.65 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.241 -0.436 . . . . 50.0 110.422 -178.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 771' ' ' PHE . . . . . 0.457 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -60.72 -31.04 70.35 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 113.412 0.893 . . . . 50.0 113.412 173.865 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -64.5 -45.48 87.07 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 120.291 -0.563 . . . . 50.0 109.656 176.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.37 -25.64 62.46 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 120.865 0.364 . . . . 25.0 111.468 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 41.2 t -60.7 -37.23 80.98 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 109.225 -0.658 . . . . 50.0 109.225 177.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 13.0 mt -67.15 -32.99 74.48 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 115.728 -0.669 . . . . 75.0 111.777 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.1 mt -58.17 -33.99 48.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 O-C-N 121.781 -0.575 . . . . 50.0 110.675 -176.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 90.9 p -62.19 -21.2 64.91 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.177 0.436 . . . . 50.0 112.177 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 13.8 mt -93.71 -14.79 25.92 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-O 121.168 0.509 . . . . 50.0 111.503 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 115.61 30.29 2.24 Favored Glycine 0 C--O 1.22 -0.732 0 N-CA-C 114.468 0.547 . . . . 50.0 114.468 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -97.0 130.69 44.29 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 109.437 -0.579 . . . . 50.0 109.437 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -84.93 49.86 1.82 Allowed 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 122.268 1.032 . . . . 50.0 109.559 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 44.2 mt . . . . . 0 C--N 1.328 -0.342 0 N-CA-C 107.515 -1.291 . . . . 50.0 107.515 -175.108 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.962 0 N-CA-C 110.862 -0.895 . . . . 50.0 110.862 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -61.29 -38.14 85.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.51 -0.994 . . . . 50.0 111.54 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -62.28 -36.78 83.13 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 116.627 -0.26 . . . . 25.0 110.309 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -89.41 -24.08 22.0 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 108.98 -0.748 . . . . 50.0 108.98 -178.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -72.13 -32.89 67.35 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 108.572 -0.899 . . . . 50.0 108.572 177.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -60.5 -30.79 69.94 Favored 'General case' 0 CA--C 1.561 1.394 0 O-C-N 123.211 0.319 . . . . 25.0 111.473 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.49 -40.2 30.3 Favored 'General case' 0 C--O 1.208 -1.096 0 N-CA-C 106.396 -1.705 . . . . 75.0 106.396 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 47.3 mt -59.61 -49.78 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.733 0 CA-C-N 115.269 -0.878 . . . . 50.0 109.568 -175.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 4.6 ptm -63.59 -27.36 69.19 Favored 'General case' 0 C--O 1.216 -0.667 0 C-N-CA 120.825 -0.35 . . . . 50.0 111.118 -177.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 42.1 m -75.97 -17.38 59.74 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 116.707 -0.224 . . . . 25.0 111.19 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 73.1 mt -96.23 -46.32 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-O 121.488 0.661 . . . . 50.0 110.346 -177.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 27.5 m -75.78 -15.81 15.45 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 CA-C-N 115.742 -0.663 . . . . 50.0 112.146 -177.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -150.63 65.2 6.91 Favored Pre-proline 0 CA--C 1.55 0.968 0 CA-C-O 121.817 0.817 . . . . 50.0 113.161 -176.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -71.91 -6.82 19.89 Favored 'Trans proline' 0 CA--C 1.534 0.494 0 C-N-CA 118.021 -0.852 . . . . 50.0 111.964 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.22 -11.42 43.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 50.0 110.844 -178.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? 57.76 50.01 11.33 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 124.295 0.997 . . . . 50.0 110.877 -176.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 86.8 mt -72.52 -26.24 61.69 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.227 -1.397 . . . . 50.0 107.227 174.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 86.69 17.83 59.36 Favored Glycine 0 C--O 1.223 -0.559 0 N-CA-C 110.322 -1.111 . . . . 50.0 110.322 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 11.1 m -148.91 156.98 7.36 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 CA-C-O 121.484 0.659 . . . . 50.0 109.674 -175.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 16.7 t -129.64 132.38 66.19 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.528 0 CA-C-N 115.528 -0.76 . . . . 50.0 110.106 -177.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -97.42 158.57 15.4 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -50.69 -44.09 57.77 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-O 121.203 0.525 . . . . 50.0 110.648 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -24.1 61.61 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.354 -0.538 . . . . 50.0 109.93 -174.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -74.4 -41.39 61.02 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.145 -0.622 . . . . 25.0 111.666 -177.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.92 -28.87 67.06 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 118.845 -1.142 . . . . 50.0 109.359 178.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 13.1 mm -64.76 -27.18 41.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 O-C-N 121.703 -0.623 . . . . 50.0 109.953 177.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -63.96 -46.71 83.46 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.719 -0.792 . . . . 50.0 110.071 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 3.4 p90 . . . . . 0 CA--C 1.501 -0.939 0 C-N-CA 118.899 -1.12 . . . . 50.0 109.92 -178.79 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.517 -0.317 0 CA-C-O 121.479 0.657 . . . . 50.0 110.776 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -61.31 -36.87 81.3 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.202 -0.453 . . . . 25.0 110.847 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 60.1 p -64.04 -42.3 97.1 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.178 -0.609 . . . . 50.0 111.476 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -68.82 -37.44 79.2 Favored 'General case' 0 C--O 1.202 -1.412 0 C-N-CA 119.653 -0.819 . . . . 50.0 108.899 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -57.58 -25.82 60.55 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 112.566 0.58 . . . . 50.0 112.566 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 74.1 mt -73.66 -46.67 47.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.256 -0.646 . . . . 50.0 109.256 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.8 -26.11 24.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 122.19 0.995 . . . . 50.0 112.076 -174.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -83.64 -13.51 54.08 Favored 'General case' 0 C--O 1.207 -1.182 0 O-C-N 121.796 -0.565 . . . . 25.0 112.235 -178.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -58.31 -17.89 33.6 Favored Glycine 0 CA--C 1.523 0.579 0 O-C-N 123.621 0.576 . . . . 50.0 114.044 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -71.57 -18.44 62.24 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 117.024 0.412 . . . . 25.0 110.318 176.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -137.21 -157.0 0.74 Allowed 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 108.698 -0.853 . . . . 50.0 108.698 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -119.63 12.05 12.17 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.704 -0.623 . . . . 50.0 110.289 174.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -156.28 176.85 12.14 Favored 'General case' 0 C--O 1.245 0.864 0 N-CA-C 109.353 -0.61 . . . . 50.0 109.353 -176.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -129.43 147.08 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.776 0 N-CA-C 109.166 -0.679 . . . . 50.0 109.166 -177.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 65.4 p -100.13 159.91 14.74 Favored 'General case' 0 C--N 1.31 -1.141 0 O-C-N 120.973 -1.079 . . . . 25.0 109.682 172.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 73.6 mtm -60.18 -35.22 74.87 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-N 114.979 -1.01 . . . . 50.0 108.892 177.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -66.74 -43.04 85.24 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-O 121.831 0.824 . . . . 25.0 110.999 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -66.89 -47.34 72.13 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 112.689 0.626 . . . . 50.0 112.689 -178.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.7 pp -68.44 -25.0 64.8 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 120.344 -0.542 . . . . 50.0 111.193 -178.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -68.23 -14.23 62.83 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 122.004 -0.435 . . . . 50.0 111.413 177.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -78.9 -29.19 44.17 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.399 -0.593 . . . . 50.0 109.399 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -80.28 -42.53 22.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.125 0.964 . . . . 50.0 110.211 -175.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.85 81.43 70.32 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.263 -0.881 . . . . 50.0 109.04 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -63.43 -23.29 71.36 Favored 'Trans proline' 0 CA--C 1.549 1.249 0 N-CA-C 119.317 2.776 . . . . 25.0 119.317 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -78.43 -167.79 0.54 Allowed 'Trans proline' 0 C--N 1.367 1.504 0 C-N-CA 113.582 -3.812 . . . . 50.0 111.52 175.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -53.46 -12.78 0.49 Allowed 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.903 1.446 . . . . 50.0 114.903 -178.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -52.81 -38.78 61.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 118.239 0.472 . . . . 50.0 110.13 174.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -66.1 -41.72 90.24 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 121.484 -0.086 . . . . 25.0 111.055 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -64.89 -41.91 95.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.721 0.772 . . . . 50.0 110.023 -177.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -66.45 -30.4 70.75 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.62 -0.718 . . . . 50.0 109.324 177.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 37.2 m -72.06 -43.65 64.57 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 110.386 -0.228 . . . . 50.0 110.386 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 21.8 mt -62.89 -35.58 71.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 108.77 -0.826 . . . . 50.0 108.77 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -67.48 -8.03 30.3 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.516 0.932 . . . . 25.0 113.516 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -121.31 -32.84 3.79 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.379 0.881 . . . . 50.0 113.379 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 2.9 ttm -61.75 140.45 58.22 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-O 120.912 0.387 . . . . 50.0 111.836 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -67.92 142.31 95.34 Favored Pre-proline 0 C--N 1.318 -0.795 0 CA-C-N 115.888 -0.596 . . . . 25.0 110.042 -174.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -73.58 145.25 37.11 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 CA-C-O 121.903 0.71 . . . . 50.0 111.972 177.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -102.84 124.55 48.58 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.186 -0.915 . . . . 50.0 113.283 -178.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 12.4 m -130.52 73.33 1.53 Allowed 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 107.006 -1.479 . . . . 25.0 107.006 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -127.53 -170.53 12.86 Favored Glycine 0 C--O 1.223 -0.549 0 CA-C-N 115.402 -0.817 . . . . 50.0 113.482 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -68.99 -28.79 28.56 Favored 'Trans proline' 0 C--N 1.349 0.555 0 N-CA-C 116.256 1.598 . . . . 50.0 116.256 -176.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -97.71 19.89 12.87 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.028 0.442 . . . . 50.0 109.819 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 59.9 p -70.2 150.65 46.24 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 115.941 1.83 . . . . 50.0 115.941 -171.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 7.8 m -135.59 164.5 43.08 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 103.921 -2.622 . . . . 50.0 103.921 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.5 3.03 2.88 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 N-CA-C 115.789 1.419 . . . . 50.0 115.789 -178.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -128.74 35.92 2.54 Favored Glycine 0 CA--C 1.502 -0.732 0 N-CA-C 110.319 -1.112 . . . . 50.0 110.319 176.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -95.54 138.66 32.9 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.317 0.579 . . . . 25.0 112.268 -177.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 51.3 mt -134.64 141.38 46.57 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 107.538 -1.282 . . . . 50.0 107.538 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -92.27 102.1 14.6 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.114 -1.069 . . . . 50.0 108.114 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -73.1 -36.64 66.82 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-N 115.269 -0.878 . . . . 50.0 108.851 -177.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 33.2 ttp -64.86 -22.78 67.06 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.683 0.754 . . . . 50.0 110.673 -177.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 6.3 t -88.25 -27.3 21.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.171 -0.922 . . . . 50.0 112.424 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -54.03 -37.95 64.64 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.83 0.678 . . . . 50.0 112.83 -177.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -25.52 31.35 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 114.545 1.313 . . . . 50.0 114.545 178.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 12.9 t -114.69 -3.88 12.81 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.168 0.803 . . . . 25.0 113.168 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -154.01 134.7 13.64 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.378 0.51 . . . . 25.0 112.378 -177.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.7 pt? . . . . . 0 C--N 1.325 -0.473 0 N-CA-C 106.71 -1.589 . . . . 50.0 106.71 176.839 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 . . . . . 0 C--O 1.215 -0.743 0 N-CA-C 110.046 -0.353 . . . . 50.0 110.046 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.53 -55.44 6.32 Favored 'General case' 0 CA--C 1.494 -1.207 0 O-C-N 121.724 -0.61 . . . . 50.0 109.99 178.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 23.6 ptp -58.98 -25.54 63.67 Favored 'General case' 0 C--O 1.214 -0.815 0 C-N-CA 119.615 -0.834 . . . . 50.0 110.063 178.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.03 -55.83 25.22 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.926 -0.768 . . . . 50.0 108.926 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -71.75 -31.13 66.33 Favored 'General case' 0 C--O 1.217 -0.631 0 C-N-CA 120.878 -0.329 . . . . 50.0 110.55 -177.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.24 -45.57 93.99 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.298 0.571 . . . . 50.0 109.734 175.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 7.6 mtp-105 -71.65 -39.93 70.02 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 116.398 -0.364 . . . . 50.0 110.212 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.67 -38.17 76.98 Favored 'General case' 0 C--O 1.209 -1.072 0 N-CA-C 112.702 0.63 . . . . 25.0 112.702 -177.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 50.9 p -70.37 -41.59 72.89 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.474 0.579 . . . . 25.0 109.594 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -43.63 92.46 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 107.908 -1.145 . . . . 50.0 107.908 175.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.77 -30.37 68.95 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.605 0.965 . . . . 50.0 113.605 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -71.34 -33.91 70.03 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 122.163 -0.335 . . . . 50.0 110.584 -178.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -89.0 -36.47 15.81 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 108.172 -1.047 . . . . 50.0 108.172 178.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -91.47 68.87 5.81 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-O 122.404 1.097 . . . . 50.0 109.269 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -79.35 -3.79 47.9 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.775 -1.102 . . . . 50.0 110.067 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -91.69 -11.0 38.18 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.358 -0.979 . . . . 50.0 108.358 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 52.25 39.64 27.44 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.783 1.233 . . . . 25.0 112.968 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 2.5 m -71.48 -18.98 62.27 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.728 -0.841 . . . . 25.0 108.728 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 83.27 5.0 89.31 Favored Glycine 0 CA--C 1.508 -0.358 0 N-CA-C 109.224 -1.55 . . . . 50.0 109.224 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -151.17 158.43 43.96 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.775 -1.195 . . . . 25.0 107.775 -176.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 766' ' ' LEU . . . . . 0.456 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 13.9 mt -140.47 171.49 14.06 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.37 -0.974 . . . . 50.0 108.37 177.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.02 173.76 55.34 Favored Glycine 0 N--CA 1.453 -0.2 0 N-CA-C 111.301 -0.72 . . . . 50.0 111.301 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -66.3 -31.53 43.51 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 121.044 1.163 . . . . 50.0 113.308 -177.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -84.15 -34.39 24.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.155 -0.341 . . . . 50.0 110.389 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -63.73 -54.64 32.17 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.734 0.302 . . . . 50.0 110.352 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 771' ' ' PHE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -61.68 -29.5 70.12 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 113.182 0.808 . . . . 50.0 113.182 175.264 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -66.04 -45.33 81.81 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.785 -0.572 . . . . 50.0 109.834 177.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.53 -24.89 62.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.288 0.566 . . . . 25.0 110.177 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 45.6 t -62.44 -37.44 85.87 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.091 -0.707 . . . . 50.0 109.091 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 14.5 mt -65.58 -31.36 72.35 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 115.727 -0.67 . . . . 75.0 112.15 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 67.8 mt -59.05 -34.39 53.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 O-C-N 121.527 -0.733 . . . . 50.0 109.407 -177.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 1.5 m -61.52 -20.0 62.73 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.569 0.581 . . . . 50.0 112.569 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 16.6 mt -95.92 -16.72 21.57 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 115.889 -0.596 . . . . 50.0 111.306 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 115.45 36.99 1.13 Allowed Glycine 0 C--O 1.221 -0.717 0 CA-C-N 115.843 -0.617 . . . . 50.0 114.305 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -105.59 131.1 53.39 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.431 -0.581 . . . . 50.0 109.431 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -83.91 46.37 1.18 Allowed 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.445 0.641 . . . . 50.0 110.445 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 47.1 mt . . . . . 0 C--N 1.327 -0.407 0 N-CA-C 106.954 -1.499 . . . . 50.0 106.954 -175.866 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.21 -1.355 0 N-CA-C 110.285 -1.126 . . . . 50.0 110.285 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.56 -36.47 78.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 121.685 -0.891 . . . . 50.0 111.325 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -62.39 -39.33 92.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.702 -0.227 . . . . 25.0 111.119 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -86.64 -22.35 26.21 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-O 121.572 0.701 . . . . 50.0 110.594 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.8 -34.21 66.76 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 108.934 -0.765 . . . . 50.0 108.934 177.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -58.83 -33.05 69.97 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.318 0.58 . . . . 25.0 112.292 178.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -83.48 -29.03 28.32 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 119.836 -0.746 . . . . 50.0 109.34 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 44.1 mt -69.08 -46.41 78.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 C-N-CA 122.244 0.218 . . . . 50.0 110.745 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 8.8 ptt? -62.35 -23.52 66.83 Favored 'General case' 0 C--O 1.216 -0.694 0 C-N-CA 120.615 -0.434 . . . . 50.0 112.044 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 52.5 m -75.85 -18.1 59.57 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 111.668 0.247 . . . . 25.0 111.668 178.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 82.0 mt -94.4 -48.71 12.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.619 0.723 . . . . 50.0 110.616 -177.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 22.7 m -74.83 -14.44 15.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 N-CA-C 113.107 0.78 . . . . 50.0 113.107 -176.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -153.18 68.42 6.58 Favored Pre-proline 0 CA--C 1.543 0.677 0 CA-C-N 115.17 -0.923 . . . . 50.0 110.638 -175.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -71.15 -14.02 31.48 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 117.914 -0.924 . . . . 50.0 111.867 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.92 -9.31 58.22 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 116.207 -0.451 . . . . 50.0 110.472 -178.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 25.7 mmt85 56.91 48.24 16.26 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.373 1.045 . . . . 50.0 110.718 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 87.3 mt -71.52 -25.72 62.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 113.81 -1.541 . . . . 50.0 109.036 175.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 86.9 19.98 54.7 Favored Glycine 0 C--N 1.32 -0.324 0 N-CA-C 110.39 -1.084 . . . . 50.0 110.39 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 7.0 m -145.93 153.77 13.33 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.429 0 CA-C-O 121.383 0.611 . . . . 50.0 109.357 -177.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 17.6 t -131.48 132.32 62.61 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 CA-C-N 115.575 -0.738 . . . . 50.0 110.452 -177.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.21 158.64 15.35 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -49.57 -44.53 46.87 Favored 'General case' 0 C--O 1.213 -0.861 0 C-N-CA 122.837 0.455 . . . . 50.0 110.71 178.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -24.12 62.27 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.195 -0.602 . . . . 50.0 110.489 -174.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -75.98 -40.15 54.39 Favored 'General case' 0 C--O 1.217 -0.634 0 C-N-CA 120.258 -0.577 . . . . 25.0 111.481 -177.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -69.83 -28.05 65.37 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 118.646 -1.222 . . . . 50.0 110.445 177.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 14.7 mm -65.33 -27.88 43.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.215 0.531 . . . . 50.0 109.788 176.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -61.2 -47.84 84.29 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 121.786 -0.571 . . . . 50.0 110.307 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 3.8 p90 . . . . . 0 C--O 1.207 -1.147 0 C-N-CA 119.566 -0.854 . . . . 50.0 111.233 -179.119 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.521 0 CA-C-O 121.051 0.453 . . . . 50.0 110.511 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.51 -38.31 80.61 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.968 -0.382 . . . . 25.0 109.968 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 55.8 p -68.31 -38.47 81.61 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.493 0.553 . . . . 50.0 112.493 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -68.43 -34.06 75.33 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 109.362 -0.607 . . . . 50.0 109.362 -178.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -65.45 -20.09 66.21 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.684 -0.689 . . . . 50.0 112.761 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 83.8 mt -77.78 -42.44 28.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 107.963 -1.125 . . . . 50.0 107.963 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.68 -29.33 25.72 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.257 0.551 . . . . 50.0 112.155 -175.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -106.42 15.7 25.66 Favored 'General case' 0 C--O 1.206 -1.217 0 N-CA-C 112.213 0.449 . . . . 25.0 112.213 -177.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -61.25 -21.94 60.26 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 109.877 -1.289 . . . . 50.0 109.877 172.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -74.97 -17.21 60.58 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.087 0.402 . . . . 25.0 112.087 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -130.3 -176.64 4.02 Favored 'General case' 0 C--O 1.213 -0.833 0 CA-C-N 118.58 0.627 . . . . 50.0 110.096 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -108.04 13.07 26.37 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.125 -0.694 . . . . 50.0 109.125 174.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -157.67 176.51 12.52 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.32 -0.622 . . . . 50.0 109.32 -176.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -135.92 151.15 28.87 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 N-CA-C 108.431 -0.952 . . . . 50.0 108.431 -177.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 71.1 p -100.7 158.46 15.93 Favored 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 119.482 -0.887 . . . . 25.0 109.364 174.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 69.9 mtm -59.91 -30.09 68.8 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 114.498 -1.228 . . . . 50.0 109.562 176.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -71.53 -43.82 65.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.5 0.667 . . . . 25.0 110.797 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -65.07 -46.75 79.87 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 116.133 -0.485 . . . . 50.0 111.35 -177.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.3 pp -67.31 -24.73 65.78 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.729 -0.607 . . . . 50.0 111.272 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -74.31 -12.32 60.51 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.738 -0.601 . . . . 50.0 111.328 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 17.3 ptt180 -77.43 -26.14 51.31 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 108.456 -0.942 . . . . 50.0 108.456 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -82.95 -42.42 17.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.962 0.886 . . . . 50.0 110.31 -176.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.13 78.66 75.78 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-N 115.213 -0.903 . . . . 50.0 109.867 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -54.33 -33.84 77.93 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 N-CA-C 118.974 2.644 . . . . 25.0 118.974 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -77.17 -164.81 0.29 Allowed 'Trans proline' 0 C--N 1.365 1.41 0 C-N-CA 115.096 -2.803 . . . . 50.0 112.838 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -53.38 -15.82 1.16 Allowed 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 114.359 1.244 . . . . 50.0 114.359 -177.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -53.03 -38.7 62.62 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 122.08 -0.388 . . . . 50.0 110.716 174.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.4 -41.12 96.83 Favored 'General case' 0 C--O 1.218 -0.555 0 O-C-N 122.112 -0.367 . . . . 25.0 110.267 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -68.2 -38.76 82.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.246 0.546 . . . . 50.0 109.985 -176.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -65.96 -32.02 73.26 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.295 -0.631 . . . . 50.0 109.295 176.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 54.4 m -72.07 -41.16 67.7 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 110.077 -0.342 . . . . 50.0 110.077 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 19.1 mt -64.24 -37.69 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 N-CA-C 108.807 -0.812 . . . . 50.0 108.807 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -71.15 1.12 6.33 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 112.469 0.544 . . . . 25.0 112.469 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -121.3 -35.33 3.3 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 112.51 0.559 . . . . 50.0 112.51 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 15.3 ttm -69.02 150.67 47.39 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 113.753 1.02 . . . . 50.0 113.753 -175.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -78.15 143.74 65.93 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.446 -0.797 . . . . 25.0 109.118 -175.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -76.23 152.78 35.5 Favored 'Trans proline' 0 C--O 1.233 0.266 0 CA-C-O 121.834 0.681 . . . . 50.0 112.702 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -116.94 126.44 52.94 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.523 -0.762 . . . . 50.0 112.403 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 62.4 p -129.69 39.68 3.68 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.516 0.674 . . . . 25.0 110.182 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -85.21 -168.13 44.26 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 114.6 0.6 . . . . 50.0 114.6 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -69.82 -26.13 27.61 Favored 'Trans proline' 0 C--N 1.348 0.544 0 CA-C-N 118.866 1.333 . . . . 50.0 114.911 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -99.05 19.54 14.99 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.175 -0.676 . . . . 50.0 109.175 -178.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 83.0 p -75.16 153.85 37.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 122.852 1.31 . . . . 50.0 114.441 -171.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 3.3 m -138.7 164.21 41.37 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 103.07 -2.937 . . . . 50.0 103.07 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -66.96 -10.43 28.46 Favored 'Trans proline' 0 N--CA 1.475 0.421 0 C-N-CA 117.259 -1.361 . . . . 50.0 114.977 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -110.91 29.3 9.0 Favored Glycine 0 C--O 1.227 -0.33 0 N-CA-C 110.782 -0.927 . . . . 50.0 110.782 177.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -93.12 139.56 30.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.294 0.569 . . . . 25.0 111.49 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 66.7 mt -136.09 140.44 43.74 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 106.539 -1.652 . . . . 50.0 106.539 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -90.29 103.72 16.37 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 107.511 -1.292 . . . . 50.0 107.511 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -74.49 -36.36 63.25 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-N 115.29 -0.868 . . . . 50.0 109.169 -177.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 3.2 mtp -62.49 -26.58 68.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.469 0.652 . . . . 50.0 109.615 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.5 t -87.36 -19.09 28.64 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.953 -1.022 . . . . 50.0 113.422 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -57.88 -40.71 80.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.348 0.594 . . . . 50.0 111.93 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 41.2 t -56.99 -27.22 61.33 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.276 -0.42 . . . . 50.0 112.064 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 49.2 p -105.82 -11.34 16.28 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.548 0.944 . . . . 25.0 113.548 -176.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -153.32 118.88 5.26 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 122.571 0.349 . . . . 25.0 111.405 -176.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.2 pt? . . . . . 0 CA--C 1.512 -0.508 0 N-CA-C 106.761 -1.57 . . . . 50.0 106.761 178.106 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 . . . . . 0 C--O 1.222 -0.37 0 N-CA-C 111.12 0.044 . . . . 50.0 111.12 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.8 -56.66 4.7 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 121.521 0.676 . . . . 50.0 110.043 178.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 23.0 ptp -57.75 -25.32 60.27 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 119.989 -0.684 . . . . 50.0 110.524 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.3 -51.63 62.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.252 -0.431 . . . . 50.0 111.042 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -73.21 -32.16 64.6 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.441 -0.577 . . . . 50.0 109.441 -177.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -60.77 -44.05 97.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.963 0.411 . . . . 50.0 110.256 174.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -69.46 -42.31 75.06 Favored 'General case' 0 CA--C 1.511 -0.526 0 O-C-N 121.874 -0.516 . . . . 50.0 109.945 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.43 -38.7 90.67 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-O 119.136 -0.459 . . . . 25.0 111.916 -177.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 40.9 m -66.78 -44.75 80.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 118.332 0.514 . . . . 25.0 110.661 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -42.41 98.62 Favored 'General case' 0 C--O 1.209 -1.07 0 N-CA-C 108.759 -0.83 . . . . 50.0 108.759 177.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.52 -32.11 71.83 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.029 0.751 . . . . 50.0 113.029 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -67.76 -37.08 81.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.103 -0.373 . . . . 50.0 110.181 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -86.66 -37.96 17.5 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 109.422 -0.584 . . . . 50.0 109.422 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -89.46 68.5 7.85 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-O 122.447 1.118 . . . . 50.0 109.069 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -74.36 -7.87 54.32 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.376 -1.284 . . . . 50.0 110.212 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -89.45 -11.48 42.93 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.759 -0.83 . . . . 50.0 108.759 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 52.93 37.88 25.58 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.863 1.265 . . . . 25.0 113.602 -178.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 26.4 m -71.16 -21.58 62.16 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.101 0.477 . . . . 25.0 110.046 177.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 91.95 -0.21 72.52 Favored Glycine 0 C--O 1.241 0.549 0 N-CA-C 109.726 -1.35 . . . . 50.0 109.726 -178.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 11.6 p -148.9 156.04 41.74 Favored 'General case' 0 CA--C 1.508 -0.647 0 C-N-CA 123.789 0.835 . . . . 25.0 110.013 -175.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 766' ' ' LEU . . . . . 0.448 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 21.0 mt -136.93 175.27 9.77 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 108.386 -0.968 . . . . 50.0 108.386 177.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -81.33 174.33 54.43 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 110.325 -1.11 . . . . 50.0 110.325 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -66.78 -35.84 26.23 Favored 'Trans proline' 0 C--N 1.343 0.269 0 CA-C-N 118.384 1.092 . . . . 50.0 113.261 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -77.5 -35.11 53.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.936 0.398 . . . . 50.0 111.146 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 82.1 mm-40 -63.6 -55.62 22.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.978 0.418 . . . . 50.0 110.552 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 771' ' ' PHE . . . . . 0.448 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.4 OUTLIER -60.16 -28.4 67.89 Favored 'General case' 0 C--O 1.198 -1.619 0 N-CA-C 113.559 0.948 . . . . 50.0 113.559 175.041 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 8.8 ttpt -63.53 -48.79 76.08 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.74 0.781 . . . . 75.0 108.94 176.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.78 -24.3 61.72 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.385 0.612 . . . . 25.0 110.866 -178.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 41.9 t -63.31 -32.42 73.83 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.705 -0.48 . . . . 50.0 109.705 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 16.7 mt -69.2 -34.09 74.35 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 121.37 0.605 . . . . 75.0 109.903 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 56.3 mt -59.38 -32.87 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-N 116.191 -0.459 . . . . 50.0 110.078 -178.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 20.0 t -62.46 -20.08 64.18 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.276 0.473 . . . . 50.0 112.276 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 20.5 mt -95.55 -20.97 18.57 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.431 -0.349 . . . . 50.0 110.476 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 118.54 35.91 0.96 Allowed Glycine 0 CA--C 1.52 0.394 0 CA-C-N 115.842 -0.617 . . . . 50.0 114.281 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -101.96 133.03 47.4 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.322 -0.992 . . . . 50.0 108.322 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -84.07 44.13 0.99 Allowed 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 121.534 0.683 . . . . 50.0 109.595 175.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 64.8 mt . . . . . 0 C--O 1.219 -0.505 0 N-CA-C 108.418 -0.956 . . . . 50.0 108.418 -176.968 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -1.337 0 N-CA-C 109.172 -1.571 . . . . 50.0 109.172 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.93 -34.31 71.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 118.301 1.05 . . . . 50.0 112.949 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -64.58 -33.48 76.01 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.699 0.285 . . . . 25.0 111.537 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -93.21 -25.19 17.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.447 0.641 . . . . 50.0 111.306 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -68.14 -35.19 77.69 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 108.387 -0.968 . . . . 50.0 108.387 177.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -58.75 -33.91 70.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.934 -0.575 . . . . 25.0 111.367 179.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 25.0 ptt-85 -86.48 -27.99 23.73 Favored 'General case' 0 C--O 1.219 -0.5 0 C-N-CA 119.736 -0.786 . . . . 50.0 110.331 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 38.2 mt -65.69 -47.42 86.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 122.221 0.208 . . . . 50.0 110.699 178.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 18.8 ptt? -60.84 -27.2 67.91 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-O 120.93 0.395 . . . . 50.0 111.463 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 66.2 m -72.99 -20.36 61.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 122.145 -0.347 . . . . 25.0 111.733 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 84.4 mt -92.0 -47.27 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.504 0 CA-C-O 121.453 0.644 . . . . 50.0 110.24 -177.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 31.9 m -76.18 -14.03 14.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.703 -0.68 . . . . 50.0 112.045 -176.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -151.99 69.74 7.7 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-O 121.902 0.858 . . . . 50.0 110.599 -176.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -72.74 -8.58 22.65 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 118.188 -0.742 . . . . 50.0 112.528 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -92.42 -6.34 50.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.141 -0.482 . . . . 50.0 110.737 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? 55.08 49.25 17.9 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-O 122.284 1.04 . . . . 50.0 111.675 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 83.9 mt -73.64 -24.8 60.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 113.923 -1.49 . . . . 50.0 108.65 175.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 87.81 19.36 54.14 Favored Glycine 0 N--CA 1.454 -0.144 0 CA-C-N 115.442 -0.799 . . . . 50.0 111.787 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 13.6 m -145.05 154.97 13.94 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.4 0 N-CA-C 109.619 -0.511 . . . . 50.0 109.619 -176.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 14.5 t -131.06 132.17 63.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.711 -0.677 . . . . 50.0 109.524 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.29 161.44 13.8 Favored 'General case' 0 CA--C 1.506 -0.719 0 N-CA-C 109.45 -0.574 . . . . 25.0 109.45 179.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -52.27 -42.74 63.94 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-O 121.608 0.718 . . . . 50.0 110.414 178.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -22.99 59.11 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 121.624 -0.672 . . . . 50.0 109.512 -174.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -74.97 -41.68 59.1 Favored 'General case' 0 C--O 1.216 -0.709 0 C-N-CA 120.049 -0.66 . . . . 25.0 111.048 -177.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.45 -30.16 68.97 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 119.013 -1.075 . . . . 50.0 110.704 178.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 20.1 mm -62.01 -26.89 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.207 0.527 . . . . 50.0 109.654 176.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.6 -49.38 77.74 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 122.04 -0.412 . . . . 50.0 110.171 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 4.0 p90 . . . . . 0 CA--C 1.504 -0.789 0 C-N-CA 119.485 -0.886 . . . . 50.0 111.861 -178.515 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.239 0.529 0 CA-C-O 121.017 0.437 . . . . 50.0 110.117 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.32 91.83 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.034 -0.53 . . . . 25.0 110.069 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 61.4 p -65.04 -40.09 94.29 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 120.722 -0.391 . . . . 50.0 111.32 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -64.75 -46.7 81.09 Favored 'General case' 0 C--O 1.207 -1.17 0 C-N-CA 120.094 -0.643 . . . . 50.0 109.399 177.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -55.16 -30.09 59.15 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.53 0.937 . . . . 50.0 113.53 -175.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 78.1 mt -70.17 -43.98 78.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.008 -0.738 . . . . 50.0 109.008 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.91 -28.12 26.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.548 0.69 . . . . 50.0 111.622 -177.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -77.49 -13.34 59.94 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 113.385 0.883 . . . . 25.0 113.385 -175.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -57.41 -14.15 12.57 Favored Glycine 0 C--O 1.222 -0.598 0 O-C-N 123.686 0.616 . . . . 50.0 114.019 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -63.08 -31.81 73.04 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.348 0.659 . . . . 25.0 110.167 174.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -139.63 -155.96 0.64 Allowed 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 108.973 -0.751 . . . . 50.0 108.973 -176.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -115.43 13.49 16.52 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 121.961 -0.462 . . . . 50.0 110.429 174.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -156.01 179.22 9.42 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.203 -0.666 . . . . 50.0 109.203 -177.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.04 148.64 33.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.765 -0.828 . . . . 50.0 108.765 -177.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 34.1 p -99.04 158.12 15.88 Favored 'General case' 0 C--N 1.316 -0.862 0 O-C-N 121.653 -0.654 . . . . 25.0 109.831 173.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 70.5 mtm -59.67 -35.13 73.83 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.16 -0.927 . . . . 50.0 109.321 176.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -66.56 -42.26 87.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.362 0.601 . . . . 25.0 111.454 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -66.86 -49.14 66.62 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 116.18 -0.464 . . . . 50.0 111.696 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.12 -26.6 66.77 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 119.811 -0.756 . . . . 50.0 110.814 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 16.4 ttt180 -74.69 -12.85 60.53 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.869 -0.519 . . . . 50.0 111.788 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . 0.426 ' HG2' ' HG2' ' A' ' 851' ' ' GLU . 16.7 ptt180 -76.51 -28.85 56.55 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 107.962 -1.125 . . . . 50.0 107.962 178.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . 0.426 ' HG2' ' HG2' ' A' ' 850' ' ' ARG . 45.0 mm-40 -81.47 -41.33 21.94 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.256 -0.884 . . . . 50.0 110.63 -176.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.88 77.87 74.29 Favored Pre-proline 0 CA--C 1.539 0.531 0 CA-C-N 115.72 -0.673 . . . . 50.0 109.672 178.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -53.45 -34.14 70.35 Favored 'Trans proline' 0 CA--C 1.554 1.496 0 N-CA-C 118.672 2.528 . . . . 25.0 118.672 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.6 -166.89 0.38 Allowed 'Trans proline' 0 C--N 1.364 1.38 0 C-N-CA 115.247 -2.702 . . . . 50.0 112.946 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -52.2 -16.93 0.92 Allowed 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 115.14 1.533 . . . . 50.0 115.14 -177.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -51.97 -39.81 59.91 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 122.194 -0.316 . . . . 50.0 111.227 175.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.27 -41.29 96.99 Favored 'General case' 0 C--O 1.212 -0.883 0 C-N-CA 121.12 -0.232 . . . . 25.0 111.02 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -66.44 -41.37 89.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.442 0.639 . . . . 50.0 109.674 -177.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -65.67 -31.96 73.26 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.149 -0.685 . . . . 50.0 109.149 177.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 46.7 m -71.95 -42.15 66.94 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 110.008 -0.367 . . . . 50.0 110.008 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 20.7 mt -61.94 -42.03 93.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.528 -0.545 . . . . 50.0 109.528 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.5 -26.52 67.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.082 0.468 . . . . 25.0 111.474 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -93.03 -18.42 22.69 Favored 'General case' 0 C--O 1.211 -0.963 0 N-CA-C 112.572 0.582 . . . . 50.0 112.572 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 3.6 ttm -74.27 -178.52 3.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.242 0.544 . . . . 50.0 111.91 -176.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -113.48 144.61 31.65 Favored Pre-proline 0 N--CA 1.446 -0.64 0 N-CA-C 106.248 -1.76 . . . . 25.0 106.248 178.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -73.99 154.6 47.83 Favored 'Trans proline' 0 C--O 1.223 -0.253 0 CA-C-N 118.68 0.564 . . . . 50.0 112.114 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -113.09 132.32 55.47 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.125 0.787 . . . . 50.0 113.125 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 2.8 p -131.85 122.41 25.67 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 105.081 -2.192 . . . . 25.0 105.081 172.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -173.9 -173.23 39.88 Favored Glycine 0 CA--C 1.507 -0.42 0 C-N-CA 120.558 -0.83 . . . . 50.0 111.398 -176.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -69.86 -28.27 24.96 Favored 'Trans proline' 0 N--CA 1.473 0.267 0 CA-C-N 119.065 1.432 . . . . 50.0 114.744 -177.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -99.92 16.03 25.18 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.366 0.603 . . . . 50.0 109.895 -176.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 84.8 p -72.55 153.14 41.46 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 114.77 1.396 . . . . 50.0 114.77 -173.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 6.0 m -137.86 165.03 36.78 Favored Pre-proline 0 C--N 1.319 -0.748 0 N-CA-C 103.578 -2.749 . . . . 50.0 103.578 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.54 -9.38 26.04 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 115.883 -2.278 . . . . 50.0 114.351 -177.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -110.29 31.18 7.61 Favored Glycine 0 C--O 1.23 -0.151 0 CA-C-O 121.346 0.414 . . . . 50.0 112.234 177.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -92.98 137.37 32.43 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.603 0.594 . . . . 25.0 112.603 -176.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 61.1 mt -135.18 139.27 44.43 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.379 -0.971 . . . . 50.0 108.379 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -88.96 105.2 17.62 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 107.048 -1.464 . . . . 50.0 107.048 178.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -73.77 -33.34 64.21 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 114.872 -1.058 . . . . 50.0 108.742 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 4.1 ttm -68.34 -18.26 64.45 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.232 -0.895 . . . . 50.0 110.958 -177.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 4.7 t -94.61 -21.51 18.77 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.782 0.66 . . . . 50.0 112.782 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -58.14 -33.81 69.59 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.746 0.784 . . . . 50.0 110.974 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.66 -30.86 5.92 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 114.851 1.426 . . . . 50.0 114.851 177.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 8.8 t -109.5 -6.66 15.34 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.815 1.413 . . . . 25.0 114.815 -178.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -154.81 150.88 27.99 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.516 1.302 . . . . 25.0 114.516 -176.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.6 pt? . . . . . 0 N--CA 1.473 0.698 0 N-CA-C 106.59 -1.633 . . . . 50.0 106.59 178.432 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 120.271 0.081 . . . . 50.0 110.916 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.37 -56.76 5.89 Favored 'General case' 0 CA--C 1.504 -0.814 0 N-CA-C 109.28 -0.637 . . . . 50.0 109.28 179.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 18.9 ptp -58.13 -25.11 61.0 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 119.505 -0.878 . . . . 50.0 111.471 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -56.45 20.32 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.198 -0.667 . . . . 50.0 109.198 -179.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -71.26 -33.38 69.75 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.535 0.207 . . . . 50.0 110.569 -177.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -59.45 -51.64 69.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.29 0.567 . . . . 50.0 110.313 176.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -67.57 -40.63 84.89 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 122.038 -0.414 . . . . 50.0 110.534 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -67.03 -38.11 85.33 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 112.82 0.674 . . . . 25.0 112.82 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 16.9 t -68.82 -43.97 74.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 118.648 0.658 . . . . 25.0 110.105 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -40.98 85.9 Favored 'General case' 0 C--O 1.208 -1.106 0 N-CA-C 108.626 -0.879 . . . . 50.0 108.626 177.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.87 -32.63 71.1 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.447 0.642 . . . . 50.0 112.689 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -68.76 -32.42 72.16 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.503 -0.748 . . . . 50.0 111.19 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -89.87 -37.91 14.1 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 108.365 -0.976 . . . . 50.0 108.365 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -88.28 69.91 9.14 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 122.185 0.993 . . . . 50.0 108.669 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 37.7 mtp85 -78.35 -6.87 56.39 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.687 -1.142 . . . . 50.0 110.47 -178.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -94.75 1.74 55.47 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 108.205 -1.035 . . . . 50.0 108.205 178.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 16.3 p80 39.99 41.19 0.85 Allowed 'General case' 0 C--O 1.239 0.51 0 C-N-CA 125.336 1.455 . . . . 25.0 114.207 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.26 -22.8 61.17 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.909 0.385 . . . . 25.0 110.17 179.619 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 92.44 1.1 69.22 Favored Glycine 0 C--O 1.243 0.669 0 N-CA-C 109.397 -1.481 . . . . 50.0 109.397 -178.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -149.94 157.37 43.1 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 123.729 0.811 . . . . 25.0 108.866 -174.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 766' ' ' LEU . . . . . 0.456 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 14.2 mt -139.66 171.04 14.81 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.614 -0.884 . . . . 50.0 108.614 177.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -78.49 173.7 55.2 Favored Glycine 0 N--CA 1.45 -0.388 0 N-CA-C 111.497 -0.641 . . . . 50.0 111.497 -178.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -67.08 -30.49 38.5 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 121.134 1.223 . . . . 50.0 113.275 -177.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -81.52 -38.0 26.94 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.009 0.433 . . . . 50.0 110.558 178.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -62.69 -55.27 28.4 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.991 -0.55 . . . . 50.0 110.433 -178.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 771' ' ' PHE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.2 OUTLIER -61.98 -27.59 68.96 Favored 'General case' 0 C--O 1.21 -0.988 0 N-CA-C 113.247 0.832 . . . . 50.0 113.247 175.839 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -67.07 -44.66 79.52 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 118.606 0.639 . . . . 50.0 109.603 177.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.63 -25.91 62.35 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.006 0.432 . . . . 25.0 110.623 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 40.8 t -61.46 -36.14 79.56 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.139 -0.689 . . . . 50.0 109.139 177.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 16.6 mt -65.81 -32.02 73.31 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 115.81 -0.632 . . . . 75.0 112.082 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 68.8 mt -57.87 -35.19 50.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 O-C-N 121.879 -0.513 . . . . 50.0 110.493 -176.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 93.2 p -65.59 -18.99 65.73 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.382 0.512 . . . . 50.0 112.382 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 14.1 mt -94.14 -13.38 26.8 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 123.415 0.447 . . . . 50.0 110.766 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 113.7 37.23 1.31 Allowed Glycine 0 C--O 1.214 -1.126 0 N-CA-C 113.835 0.294 . . . . 50.0 113.835 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -108.61 128.92 55.25 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.008 -1.108 . . . . 50.0 108.008 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -84.51 51.33 2.08 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.487 0.66 . . . . 50.0 110.31 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 41.7 mt . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 121.507 0.67 . . . . 50.0 109.234 -175.364 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.205 -1.716 0 N-CA-C 109.615 -1.394 . . . . 50.0 109.615 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.53 -36.96 79.68 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.75 -0.853 . . . . 50.0 111.498 177.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.05 -38.3 90.65 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.648 0.261 . . . . 25.0 111.177 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -90.31 -17.0 28.14 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-O 121.479 0.657 . . . . 50.0 110.821 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -75.36 -33.52 61.07 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 108.042 -1.096 . . . . 50.0 108.042 175.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.12 -33.69 71.17 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.098 0.407 . . . . 25.0 112.098 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 23.3 ptt180 -80.55 -30.74 37.08 Favored 'General case' 0 C--O 1.214 -0.776 0 N-CA-C 108.547 -0.909 . . . . 50.0 108.547 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 59.1 mt -68.53 -48.55 71.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 122.495 0.318 . . . . 50.0 111.328 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 10.2 ptm -61.67 -27.55 68.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.986 0.422 . . . . 50.0 110.866 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 46.6 m -74.49 -16.27 60.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.768 0.318 . . . . 25.0 111.718 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 81.9 mt -97.31 -48.37 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-O 121.3 0.572 . . . . 50.0 110.643 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 21.7 m -75.85 -14.06 15.1 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 CA-C-N 115.572 -0.74 . . . . 50.0 112.389 -176.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -152.73 66.18 6.11 Favored Pre-proline 0 CA--C 1.545 0.752 0 CA-C-O 121.415 0.626 . . . . 50.0 112.186 -175.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -73.41 -12.12 24.92 Favored 'Trans proline' 0 CA--C 1.535 0.533 0 C-N-CA 117.415 -1.257 . . . . 50.0 111.507 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.84 -7.34 59.22 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 116.099 -0.5 . . . . 50.0 110.32 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 51.4 mmm-85 55.88 45.9 23.18 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 124.483 1.114 . . . . 50.0 111.342 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 87.3 mt -69.11 -24.68 64.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.754 -1.112 . . . . 50.0 108.867 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.86 19.27 58.17 Favored Glycine 0 C--N 1.316 -0.544 0 N-CA-C 111.053 -0.819 . . . . 50.0 111.053 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 3.5 m -147.92 155.55 9.96 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 CA-C-O 121.273 0.559 . . . . 50.0 109.721 -177.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 16.6 t -130.36 133.17 64.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.19 -0.914 . . . . 50.0 109.888 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.97 160.62 14.19 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 109.151 -0.685 . . . . 25.0 109.151 179.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -51.9 -42.99 63.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.408 0.623 . . . . 50.0 110.219 178.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -23.61 60.89 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 121.78 -0.575 . . . . 50.0 109.667 -174.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -74.85 -40.27 61.1 Favored 'General case' 0 C--O 1.21 -0.982 0 C-N-CA 120.603 -0.439 . . . . 25.0 111.694 -177.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -69.84 -29.38 66.63 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 118.877 -1.129 . . . . 50.0 109.587 178.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 22.2 mm -62.9 -27.7 43.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 121.806 -0.558 . . . . 50.0 109.642 176.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -61.77 -41.86 98.24 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.378 -0.601 . . . . 50.0 109.378 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 3.5 p90 . . . . . 0 C--O 1.212 -0.901 0 C-N-CA 119.251 -0.98 . . . . 50.0 112.098 178.397 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 8.5 tpt . . . . . 0 CA--C 1.534 0.337 0 CA-C-O 122.272 1.034 . . . . 50.0 109.824 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -63.82 -35.73 81.57 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 115.839 -0.619 . . . . 25.0 110.167 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 21.4 t -60.53 -43.54 97.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.074 0.398 . . . . 50.0 112.074 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -63.31 -35.29 79.87 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.25 -0.58 . . . . 50.0 109.99 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -69.12 -19.04 64.03 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 123.068 0.547 . . . . 50.0 112.456 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 66.4 mt -83.73 -39.56 15.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 N-CA-C 108.136 -1.061 . . . . 50.0 108.136 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.69 -33.41 23.18 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.462 0.542 . . . . 50.0 112.462 -174.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -74.97 -47.51 28.99 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 106.411 -1.7 . . . . 25.0 106.411 174.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 54.83 -97.52 0.04 OUTLIER Glycine 0 CA--C 1.489 -1.556 0 CA-C-N 112.153 -2.294 . . . . 50.0 114.23 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -83.34 0.81 44.25 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 120.178 -0.609 . . . . 25.0 112.543 -175.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -95.95 143.9 26.73 Favored 'General case' 0 CA--C 1.502 -0.886 0 N-CA-C 106.364 -1.717 . . . . 50.0 106.364 175.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -86.86 7.56 26.67 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.392 0.615 . . . . 50.0 109.941 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -152.79 174.84 13.55 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.079 -0.712 . . . . 50.0 109.079 -177.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.36 155.13 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 N-CA-C 107.215 -1.402 . . . . 50.0 107.215 -177.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 73.8 p -104.78 161.01 14.53 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 108.215 -1.032 . . . . 25.0 108.215 173.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 73.0 mtm -60.69 -37.72 82.56 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.189 -0.914 . . . . 50.0 109.046 176.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.38 -38.55 91.44 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.17 -0.468 . . . . 25.0 111.801 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -67.28 -48.43 67.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.324 -0.398 . . . . 50.0 110.91 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.9 pp -72.6 -28.77 62.98 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.311 -0.956 . . . . 50.0 111.077 -177.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -74.92 -12.99 60.48 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 121.212 -0.93 . . . . 50.0 111.195 177.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -73.3 -24.77 60.44 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.41 -0.806 . . . . 50.0 109.009 177.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -97.06 -31.98 12.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 123.607 0.567 . . . . 50.0 110.994 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.76 75.54 70.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 109.865 -0.42 . . . . 50.0 109.865 175.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -54.46 -35.3 84.77 Favored 'Trans proline' 0 CA--C 1.548 1.188 0 N-CA-C 118.682 2.532 . . . . 25.0 118.682 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -77.12 -162.0 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 C-N-CA 115.715 -2.39 . . . . 50.0 113.201 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -53.57 -16.2 1.45 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 114.65 1.352 . . . . 50.0 114.65 -177.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 31.3 mm100 -52.24 -44.88 65.1 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 121.801 -0.562 . . . . 50.0 110.316 174.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.67 -38.52 91.43 Favored 'General case' 0 C--O 1.214 -0.781 0 C-N-CA 120.898 -0.321 . . . . 25.0 111.601 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -66.99 -40.28 87.33 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.067 0.46 . . . . 50.0 110.342 -177.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -66.34 -32.65 74.18 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 108.315 -0.995 . . . . 50.0 108.315 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 63.3 m -71.54 -43.24 66.76 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 122.397 -0.189 . . . . 50.0 110.557 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 15.8 mt -64.65 -36.38 77.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.222 -0.659 . . . . 50.0 109.222 179.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.96 -15.17 62.76 Favored 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 111.953 0.353 . . . . 25.0 111.953 177.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -108.34 -30.97 8.04 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 114.013 1.116 . . . . 50.0 114.013 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 8.7 ttm -68.89 153.39 43.88 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 113.473 0.916 . . . . 50.0 113.473 -176.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -82.11 145.04 51.93 Favored Pre-proline 0 C--N 1.317 -0.82 0 N-CA-C 108.765 -0.828 . . . . 25.0 108.765 -177.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -75.75 152.1 37.0 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 120.982 1.121 . . . . 50.0 113.181 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -115.49 125.64 53.31 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 113.132 0.79 . . . . 50.0 113.132 -178.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 6.3 m -131.49 66.69 1.54 Allowed 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.66 -0.867 . . . . 25.0 108.66 177.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -116.26 -167.46 14.83 Favored Glycine 0 N--CA 1.46 0.286 0 CA-C-N 115.422 -0.808 . . . . 50.0 113.721 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -69.84 -29.99 22.6 Favored 'Trans proline' 0 C--N 1.349 0.574 0 N-CA-C 115.313 1.236 . . . . 50.0 115.313 -178.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -96.91 29.58 3.01 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 109.331 -0.618 . . . . 50.0 109.331 -178.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 95.9 p -78.26 148.37 33.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 123.202 1.477 . . . . 50.0 112.898 -173.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 15.7 m -135.43 163.35 51.49 Favored Pre-proline 0 C--N 1.319 -0.744 0 N-CA-C 103.082 -2.933 . . . . 50.0 103.082 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -57.67 -23.99 60.49 Favored 'Trans proline' 0 C--N 1.349 0.576 0 N-CA-C 116.32 1.623 . . . . 50.0 116.32 -177.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -109.63 37.67 3.67 Favored Glycine 0 CA--C 1.507 -0.428 0 CA-C-O 119.823 -0.431 . . . . 50.0 113.061 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -91.3 138.37 31.64 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.209 0.528 . . . . 25.0 111.584 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 43.8 mt -134.56 139.49 45.43 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 108.07 -1.085 . . . . 50.0 108.07 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -89.8 103.5 16.15 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 107.057 -1.46 . . . . 50.0 107.057 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -75.93 -35.52 59.72 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-N 115.249 -0.887 . . . . 50.0 109.04 -176.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 1.5 mtp -63.99 -23.97 67.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.239 0.542 . . . . 50.0 110.153 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 4.0 t -87.23 -18.61 29.87 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.104 0.779 . . . . 50.0 113.104 177.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -57.75 -41.49 82.02 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.173 0.511 . . . . 50.0 111.404 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -18.81 8.05 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 114.457 1.28 . . . . 50.0 114.457 175.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 43.0 p -109.25 -16.85 13.97 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 114.099 1.148 . . . . 25.0 114.099 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -156.72 136.48 12.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.867 0.365 . . . . 25.0 111.395 -177.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.4 pt? . . . . . 0 C--N 1.325 -0.471 0 N-CA-C 105.941 -1.874 . . . . 50.0 105.941 176.501 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 . . . . . 0 N--CA 1.451 -0.387 0 CA-C-O 119.54 -0.266 . . . . 50.0 111.0 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.26 -55.74 6.02 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-O 120.986 0.422 . . . . 50.0 110.834 178.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 23.0 ptp -58.51 -25.4 62.34 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 119.505 -0.878 . . . . 50.0 110.418 178.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -54.97 28.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.568 -0.742 . . . . 50.0 110.032 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -72.72 -30.64 64.36 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 110.167 -0.309 . . . . 50.0 110.167 -176.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -60.23 -50.31 74.16 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.206 -0.664 . . . . 50.0 109.206 175.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -65.67 -42.31 91.44 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 120.947 -0.301 . . . . 50.0 110.71 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -67.21 -37.93 84.44 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 113.132 0.789 . . . . 25.0 113.132 -177.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 50.9 m -68.74 -42.7 77.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 118.045 0.384 . . . . 25.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -41.68 94.86 Favored 'General case' 0 C--O 1.209 -1.076 0 N-CA-C 107.913 -1.143 . . . . 50.0 107.913 177.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.32 -29.42 64.99 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.952 0.723 . . . . 50.0 112.952 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -72.14 -31.67 66.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.136 0.494 . . . . 50.0 110.365 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -89.1 -39.37 13.67 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 109.174 -0.676 . . . . 50.0 109.174 178.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -90.79 71.18 6.62 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 122.758 1.266 . . . . 50.0 108.287 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -79.99 -0.5 35.59 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 113.911 -1.495 . . . . 50.0 110.427 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -93.87 -11.49 31.0 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 107.431 -1.322 . . . . 50.0 107.431 177.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 55.43 36.73 27.72 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 114.395 -1.275 . . . . 25.0 112.35 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 40.2 t -69.83 -26.7 64.36 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 114.863 -1.062 . . . . 25.0 109.885 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 93.65 -1.57 68.99 Favored Glycine 0 C--O 1.238 0.372 0 N-CA-C 109.81 -1.316 . . . . 50.0 109.81 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 16.3 p -147.95 154.93 40.98 Favored 'General case' 0 CA--C 1.506 -0.738 0 C-N-CA 123.453 0.701 . . . . 25.0 109.922 -176.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 766' ' ' LEU . . . . . 0.454 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 21.3 mt -137.7 173.38 11.71 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.24 -1.022 . . . . 50.0 108.24 177.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.13 174.26 55.29 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 121.102 -0.57 . . . . 50.0 111.75 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.71 -27.93 31.32 Favored 'Trans proline' 0 C--O 1.225 -0.166 0 C-N-CA 121.099 1.2 . . . . 50.0 112.322 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -82.71 -37.7 24.37 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.786 0.327 . . . . 50.0 110.379 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -67.38 -53.59 27.98 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.614 -0.267 . . . . 50.0 110.458 -178.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 771' ' ' PHE . . . . . 0.454 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -58.62 -30.95 67.65 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 112.923 0.712 . . . . 50.0 112.923 174.086 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -65.13 -44.4 88.81 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.608 0.64 . . . . 50.0 109.875 177.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -72.52 -24.94 61.22 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.035 0.445 . . . . 25.0 110.921 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 49.4 t -63.12 -35.75 81.32 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 109.621 -0.511 . . . . 50.0 109.621 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 14.8 mt -64.58 -35.65 81.66 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-O 121.903 0.859 . . . . 75.0 109.719 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 61.4 mt -60.92 -32.52 52.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 O-C-N 121.575 -0.703 . . . . 50.0 110.48 -176.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 19.1 t -61.8 -21.72 64.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.366 -0.379 . . . . 50.0 111.617 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 18.0 mt -92.32 -20.7 20.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.198 0.523 . . . . 50.0 110.22 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 124.45 20.06 2.47 Favored Glycine 0 C--O 1.218 -0.886 0 N-CA-C 115.084 0.794 . . . . 50.0 115.084 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -87.49 141.71 28.42 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.536 -1.283 . . . . 50.0 107.536 -177.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -96.17 35.01 1.49 Allowed 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.088 -0.96 . . . . 50.0 111.091 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 77.8 mt . . . . . 0 C--N 1.327 -0.388 0 N-CA-C 105.469 -2.048 . . . . 50.0 105.469 -177.671 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.927 0 N-CA-C 109.537 -1.425 . . . . 50.0 109.537 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -58.96 -35.85 73.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 118.691 1.246 . . . . 50.0 111.374 177.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.9 -32.6 74.18 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-O 119.149 -0.453 . . . . 25.0 111.097 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -97.57 -20.91 17.38 Favored 'General case' 0 N--CA 1.424 -1.738 0 N-CA-C 109.754 -0.461 . . . . 50.0 109.754 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.08 -33.01 65.37 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 106.497 -1.668 . . . . 50.0 106.497 178.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.59 -29.77 68.2 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.826 0.822 . . . . 25.0 112.991 177.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.6 -39.2 24.86 Favored 'General case' 0 N--CA 1.503 2.193 0 N-CA-C 107.239 -1.393 . . . . 75.0 107.239 178.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 72.4 mt -60.08 -49.54 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.244 0 CA-C-N 116.188 -0.46 . . . . 50.0 110.382 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 25.9 ptm -62.04 -28.35 69.53 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-O 121.007 0.432 . . . . 50.0 110.585 -177.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 59.4 m -72.78 -19.7 61.3 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.869 -0.519 . . . . 25.0 111.589 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 75.8 mt -94.68 -47.7 13.2 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 CA-C-O 121.121 0.486 . . . . 50.0 110.354 -177.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 26.4 m -74.75 -14.12 15.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 112.56 0.578 . . . . 50.0 112.56 -176.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -150.93 70.25 8.56 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.268 -0.878 . . . . 50.0 110.425 -176.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -72.7 -14.45 27.13 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 117.367 -1.289 . . . . 50.0 111.69 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.5 -9.05 58.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.471 -0.331 . . . . 50.0 111.313 -178.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 25.5 mmt85 58.92 46.43 13.76 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.042 0.839 . . . . 50.0 111.752 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 84.1 mt -71.27 -26.52 62.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.26 -1.336 . . . . 50.0 109.283 176.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 87.84 20.14 51.43 Favored Glycine 0 C--O 1.227 -0.317 0 CA-C-N 115.448 -0.796 . . . . 50.0 111.724 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 13.5 m -146.3 157.56 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 109.46 -0.571 . . . . 50.0 109.46 -176.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 15.8 t -131.79 133.47 61.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 123.191 0.596 . . . . 50.0 110.239 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.31 160.49 14.3 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.577 -0.527 . . . . 25.0 109.577 178.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -52.69 -43.07 65.34 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-O 121.892 0.853 . . . . 50.0 110.314 178.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -20.72 59.45 Favored 'General case' 0 C--N 1.314 -0.945 0 O-C-N 121.736 -0.602 . . . . 50.0 110.002 -174.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -77.01 -39.68 49.41 Favored 'General case' 0 C--O 1.217 -0.63 0 C-N-CA 120.172 -0.611 . . . . 25.0 110.892 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -68.17 -31.48 71.06 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 118.635 -1.226 . . . . 50.0 109.05 177.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 17.0 mm -64.83 -28.33 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 109.128 -0.693 . . . . 50.0 109.128 178.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -61.64 -44.89 96.13 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.912 -0.315 . . . . 50.0 110.672 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 3.7 p90 . . . . . 0 CA--C 1.515 -0.374 0 C-N-CA 119.276 -0.969 . . . . 50.0 111.011 177.903 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 22.9 ttm . . . . . 0 CA--C 1.516 -0.36 0 N-CA-C 109.863 -0.421 . . . . 50.0 109.863 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -57.14 -36.42 70.69 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.127 -0.323 . . . . 25.0 110.127 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 15.7 m -71.55 -44.29 64.83 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 121.094 -0.242 . . . . 50.0 110.999 -178.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -63.7 -39.59 94.68 Favored 'General case' 0 C--O 1.206 -1.186 0 C-N-CA 119.883 -0.727 . . . . 50.0 109.733 178.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -55.62 -27.1 47.73 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.197 0.599 . . . . 50.0 112.589 -177.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 59.7 mt -71.96 -46.49 59.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.162 -0.681 . . . . 50.0 109.162 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.75 -27.2 27.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.844 0.831 . . . . 50.0 111.971 -176.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -79.99 -14.15 58.8 Favored 'General case' 0 C--O 1.205 -1.273 0 CA-C-N 115.212 -0.904 . . . . 25.0 113.107 -177.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -57.47 -16.24 20.69 Favored Glycine 0 C--O 1.22 -0.73 0 O-C-N 123.382 0.426 . . . . 50.0 114.042 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -64.98 -29.97 70.92 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.461 0.704 . . . . 25.0 110.917 174.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -138.03 -165.09 1.73 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.097 0.559 . . . . 50.0 109.906 -175.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -107.57 9.0 29.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.156 -0.34 . . . . 50.0 110.525 175.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -156.89 -179.54 8.31 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.858 -0.423 . . . . 50.0 109.858 -176.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.19 151.71 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 108.581 -0.896 . . . . 50.0 108.581 -178.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 64.3 p -102.72 162.68 12.73 Favored 'General case' 0 C--N 1.315 -0.935 0 O-C-N 120.978 -1.076 . . . . 25.0 108.777 173.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 71.9 mtm -60.06 -36.09 76.58 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.155 -0.929 . . . . 50.0 110.3 177.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -68.14 -40.1 82.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.082 -0.508 . . . . 25.0 111.3 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -67.32 -45.42 76.5 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 116.108 -0.496 . . . . 50.0 111.631 -178.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.0 pp -70.02 -26.4 64.04 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.399 -0.921 . . . . 50.0 110.247 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -75.37 -11.24 60.01 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 121.662 -0.649 . . . . 50.0 111.403 177.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -70.06 -27.82 64.95 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 108.219 -1.03 . . . . 50.0 108.219 176.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -82.98 -46.67 12.61 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.427 -0.806 . . . . 50.0 109.717 -178.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.74 82.66 59.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.309 -0.86 . . . . 50.0 110.206 -178.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -60.86 -27.0 84.1 Favored 'Trans proline' 0 CA--C 1.549 1.229 0 N-CA-C 118.453 2.444 . . . . 25.0 118.453 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -75.77 -164.58 0.25 Allowed 'Trans proline' 0 C--N 1.362 1.254 0 C-N-CA 113.539 -3.841 . . . . 50.0 112.541 177.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -57.37 -14.11 4.27 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 115.251 1.575 . . . . 50.0 115.251 -177.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -50.4 -40.2 49.27 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.716 -0.615 . . . . 50.0 110.895 173.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.78 95.18 Favored 'General case' 0 C--O 1.213 -0.833 0 C-N-CA 120.668 -0.413 . . . . 25.0 111.281 178.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -63.44 -44.33 94.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.883 0.849 . . . . 50.0 108.796 -177.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -65.92 -33.66 76.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.452 -0.795 . . . . 50.0 109.511 178.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 56.9 m -70.35 -38.08 74.74 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 122.339 -0.226 . . . . 50.0 111.008 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 20.2 mt -64.7 -31.81 55.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.12 -0.696 . . . . 50.0 109.12 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -77.31 -14.07 59.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 122.372 1.082 . . . . 25.0 109.752 -176.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.06 -12.45 14.84 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.049 -0.978 . . . . 50.0 111.568 -175.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 9.0 ttm -88.26 172.48 9.41 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.067 0.46 . . . . 50.0 111.666 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -99.21 145.78 30.61 Favored Pre-proline 0 CA--C 1.545 0.785 0 N-CA-C 107.577 -1.268 . . . . 25.0 107.577 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -76.17 154.71 37.3 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 120.709 0.939 . . . . 50.0 113.786 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -123.73 124.85 43.64 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 112.9 0.704 . . . . 50.0 112.9 179.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 73.5 p -131.55 42.76 3.15 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 108.359 -0.978 . . . . 25.0 108.359 177.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -84.52 -168.11 43.78 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-N 115.532 -0.758 . . . . 50.0 113.397 -177.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -68.91 -28.16 29.82 Favored 'Trans proline' 0 CA--C 1.536 0.606 0 CA-C-N 118.882 1.341 . . . . 50.0 114.894 -177.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -96.63 20.55 10.62 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.354 0.597 . . . . 50.0 110.027 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 85.9 p -75.55 154.52 36.75 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.926 1.454 . . . . 50.0 114.926 -172.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 6.6 m -137.04 166.39 27.55 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 104.005 -2.591 . . . . 50.0 104.005 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -68.09 -2.58 9.09 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 116.928 -1.581 . . . . 50.0 115.637 -177.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -126.03 40.03 1.91 Allowed Glycine 0 CA--C 1.509 -0.321 0 N-CA-C 111.588 -0.605 . . . . 50.0 111.588 176.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -95.54 139.4 31.86 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 112.468 0.544 . . . . 25.0 112.468 -177.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 63.7 mt -136.54 142.81 43.45 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.423 -0.954 . . . . 50.0 108.423 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -91.82 107.0 18.9 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 107.544 -1.28 . . . . 50.0 107.544 178.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -76.87 -34.41 57.79 Favored 'General case' 0 CA--C 1.497 -1.07 0 CA-C-N 115.274 -0.876 . . . . 50.0 109.144 -177.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -27.27 67.63 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.077 -0.51 . . . . 50.0 109.944 -179.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.3 t -86.03 -10.66 54.63 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 113.161 0.8 . . . . 50.0 113.161 -176.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -59.02 -38.4 79.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.238 0.542 . . . . 50.0 111.604 -177.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 20.4 p -65.5 -14.23 60.58 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.909 -0.494 . . . . 50.0 112.035 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 44.4 p -109.25 -15.66 14.23 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.906 0.706 . . . . 25.0 112.906 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -157.92 131.58 7.84 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.155 0.502 . . . . 25.0 112.006 -177.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 N-CA-C 105.76 -1.941 . . . . 50.0 105.76 177.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 110.458 -0.201 . . . . 50.0 110.458 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.77 -53.59 11.18 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 121.405 0.621 . . . . 50.0 110.305 178.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 24.6 ptp -60.06 -25.67 65.55 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 119.294 -0.962 . . . . 50.0 109.978 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -52.55 61.41 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.83 -0.433 . . . . 50.0 109.83 178.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -73.21 -30.18 63.33 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 110.048 -0.352 . . . . 50.0 110.048 -177.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -63.57 -44.3 94.49 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.273 0.558 . . . . 50.0 109.722 176.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -67.03 -42.75 84.35 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 109.119 -0.697 . . . . 50.0 109.119 178.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -66.92 -38.23 85.82 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 113.424 0.898 . . . . 25.0 113.424 -177.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 17.2 p -70.38 -42.93 71.11 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 118.797 0.726 . . . . 25.0 109.766 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -40.52 84.89 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 108.434 -0.95 . . . . 50.0 108.434 176.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.23 -31.17 65.58 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-O 121.42 0.629 . . . . 50.0 112.242 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -67.12 -32.37 73.46 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 121.705 -0.622 . . . . 50.0 110.286 -178.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -92.22 -41.67 10.29 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 108.748 -0.834 . . . . 50.0 108.748 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -90.46 71.73 6.97 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 122.662 1.22 . . . . 50.0 109.229 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 36.9 mtm180 -80.93 1.0 32.88 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 113.975 -1.466 . . . . 50.0 110.939 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -96.53 -9.87 28.59 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.053 -1.091 . . . . 50.0 108.053 178.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 54.68 39.61 31.39 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.823 1.249 . . . . 25.0 111.946 -178.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 47.5 t -68.76 -24.71 64.47 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.291 -1.004 . . . . 25.0 108.291 176.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 90.56 -3.84 81.84 Favored Glycine 0 C--O 1.243 0.669 0 N-CA-C 109.201 -1.56 . . . . 50.0 109.201 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 19.2 p -145.66 158.84 43.8 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 123.632 0.773 . . . . 25.0 109.783 -175.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 766' ' ' LEU . . . . . 0.457 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 25.3 mt -139.95 173.59 11.37 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.906 -1.146 . . . . 50.0 107.906 175.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -85.67 -179.27 50.3 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 110.267 -1.133 . . . . 50.0 110.267 -178.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -68.56 -32.17 25.23 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 121.659 1.573 . . . . 50.0 115.207 -174.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -84.87 -35.78 21.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.51 -0.744 . . . . 50.0 109.408 -178.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -63.2 -53.96 44.96 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.261 -0.427 . . . . 50.0 110.428 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 771' ' ' PHE . . . . . 0.457 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -61.59 -28.79 69.6 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 113.489 0.922 . . . . 50.0 113.489 173.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -65.79 -48.6 71.22 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 108.966 -0.753 . . . . 75.0 108.966 177.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -69.15 -24.1 64.04 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.539 0.685 . . . . 25.0 111.006 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 51.8 t -62.96 -31.62 72.77 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.546 -0.752 . . . . 50.0 109.908 177.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 15.9 mt -70.83 -33.81 71.05 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-O 121.64 0.733 . . . . 75.0 109.952 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 54.8 mt -60.83 -32.84 53.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 O-C-N 121.677 -0.64 . . . . 50.0 110.201 -176.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 41.2 m -63.14 -18.36 63.36 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.164 -0.471 . . . . 50.0 112.174 177.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 15.0 mt -97.04 -15.57 20.97 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 123.128 0.571 . . . . 50.0 111.169 178.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 119.12 22.4 3.52 Favored Glycine 0 C--O 1.218 -0.852 0 N-CA-C 115.371 0.908 . . . . 50.0 115.371 178.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -93.37 148.57 21.94 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.57 -1.27 . . . . 50.0 107.57 -177.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -101.45 31.05 3.91 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 122.396 1.093 . . . . 50.0 109.668 178.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 42.2 mt . . . . . 0 CA--C 1.504 -0.789 0 N-CA-C 106.914 -1.513 . . . . 50.0 106.914 -177.047 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.959 0 N-CA-C 109.292 -1.523 . . . . 50.0 109.292 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.91 -37.55 76.88 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 121.74 -0.859 . . . . 75.0 111.666 177.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.02 -40.21 97.05 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 110.392 -0.225 . . . . 25.0 110.392 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -88.78 -16.86 31.09 Favored 'General case' 0 C--O 1.249 1.052 0 N-CA-C 110.381 -0.229 . . . . 50.0 110.381 -178.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.55 -30.66 61.83 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 107.738 -1.208 . . . . 50.0 107.738 173.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -61.97 -30.84 71.2 Favored 'General case' 0 CA--C 1.569 1.68 0 CA-C-O 119.711 -0.185 . . . . 25.0 110.798 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -40.9 63.16 Favored 'General case' 0 C--O 1.203 -1.388 0 CA-C-O 123.064 1.411 . . . . 75.0 109.07 176.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 58.9 mt -61.72 -50.12 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.674 0 CA-C-N 114.059 -1.428 . . . . 50.0 110.491 -174.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 17.5 ptt? -62.43 -22.97 66.6 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 111.896 0.332 . . . . 50.0 111.896 -178.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 21.4 m -83.33 -19.14 36.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.43 -0.35 . . . . 25.0 111.632 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 70.0 mt -93.71 -47.77 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 CA-C-O 121.0 0.428 . . . . 50.0 110.064 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 19.3 m -74.94 -13.38 15.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 N-CA-C 113.056 0.761 . . . . 50.0 113.056 -177.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -156.25 70.65 5.03 Favored Pre-proline 0 C--O 1.243 0.742 0 CA-C-N 115.524 -0.762 . . . . 50.0 110.242 -175.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -72.87 -15.05 26.65 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 117.573 -1.152 . . . . 50.0 112.194 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.59 -4.77 59.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 50.0 110.459 -178.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 57.2 42.71 25.04 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 124.188 0.93 . . . . 50.0 111.561 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 80.8 mt -69.08 -25.22 64.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.065 -0.97 . . . . 50.0 108.945 176.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 88.3 18.87 54.59 Favored Glycine 0 C--O 1.224 -0.512 0 CA-C-N 116.25 -0.432 . . . . 50.0 112.642 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 15.6 m -142.39 153.86 18.16 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 CA-C-N 117.521 0.661 . . . . 50.0 110.322 -178.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 9.3 t -130.53 132.93 64.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 115.648 -0.706 . . . . 50.0 109.175 -178.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.4 161.11 13.94 Favored 'General case' 0 CA--C 1.502 -0.868 0 N-CA-C 109.039 -0.726 . . . . 25.0 109.039 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -51.82 -43.16 63.01 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-O 121.807 0.813 . . . . 50.0 110.141 178.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.86 -22.56 56.08 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 119.917 -0.713 . . . . 50.0 110.391 -174.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -71.9 -39.07 69.8 Favored 'General case' 0 C--O 1.212 -0.878 0 C-N-CA 120.319 -0.553 . . . . 25.0 110.93 -178.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -71.5 -29.78 65.2 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 118.576 -1.25 . . . . 50.0 110.052 177.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 16.3 mm -63.72 -28.53 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 121.199 0.523 . . . . 50.0 110.037 177.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -57.18 -53.39 58.62 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.098 -0.705 . . . . 50.0 109.098 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 3.7 p90 . . . . . 0 C--O 1.212 -0.878 0 C-N-CA 118.967 -1.093 . . . . 50.0 111.183 -176.957 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 19.2 ttm . . . . . 0 CA--C 1.505 -0.751 0 CA-C-O 120.452 0.168 . . . . 50.0 110.578 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -55.5 -38.36 69.07 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 116.394 -0.366 . . . . 25.0 110.603 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 92.9 p -66.39 -43.93 84.49 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 120.136 -0.626 . . . . 50.0 110.573 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -67.47 -37.78 83.43 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-O 121.389 0.614 . . . . 50.0 110.496 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -66.24 -21.18 66.29 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 122.917 0.487 . . . . 50.0 111.62 -177.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 50.5 mt -79.81 -42.34 22.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 108.42 -0.956 . . . . 50.0 108.42 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.49 -32.9 23.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.39 0.614 . . . . 50.0 112.52 -177.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -108.28 17.17 22.5 Favored 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 115.967 -0.56 . . . . 25.0 112.43 -176.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -67.35 -17.59 68.58 Favored Glycine 0 C--O 1.217 -0.932 0 N-CA-C 108.738 -1.745 . . . . 50.0 108.738 170.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -68.21 -30.78 69.94 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.497 0.719 . . . . 25.0 110.74 176.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -123.12 -155.34 0.65 Allowed 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 107.395 -1.335 . . . . 50.0 107.395 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 24.3 p-10 -127.2 12.58 7.11 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 121.541 -0.725 . . . . 50.0 109.292 175.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -156.55 173.64 16.63 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 108.603 -0.888 . . . . 50.0 108.603 -176.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -131.6 152.06 36.49 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.759 0 N-CA-C 107.953 -1.129 . . . . 50.0 107.953 -176.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 37.8 p -99.96 161.75 13.41 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 107.563 -1.273 . . . . 25.0 107.563 175.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 75.9 mtm -59.65 -31.87 69.93 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.558 -0.746 . . . . 50.0 109.31 177.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -71.58 -44.46 64.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.554 -0.748 . . . . 25.0 112.644 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -65.08 -45.58 84.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.963 -0.562 . . . . 50.0 111.504 -177.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.1 pp -67.4 -26.35 66.4 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.353 -0.842 . . . . 50.0 110.69 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -67.76 -18.4 64.87 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.476 -0.765 . . . . 50.0 112.432 176.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.29 -26.25 61.9 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.178 -0.675 . . . . 50.0 109.178 178.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -83.11 -42.47 17.35 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 115.522 -0.763 . . . . 50.0 110.886 -176.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.42 81.56 69.77 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 116.159 -0.473 . . . . 50.0 111.122 -177.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -53.86 -32.85 68.92 Favored 'Trans proline' 0 CA--C 1.551 1.337 0 N-CA-C 119.339 2.784 . . . . 25.0 119.339 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -77.4 -167.32 0.46 Allowed 'Trans proline' 0 C--N 1.364 1.394 0 C-N-CA 114.652 -3.099 . . . . 50.0 112.794 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -52.65 -16.49 0.96 Allowed 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 115.754 1.761 . . . . 50.0 115.754 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -49.65 -39.06 34.83 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 122.164 -0.335 . . . . 50.0 111.032 173.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -68.92 -39.17 79.81 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 112.15 0.426 . . . . 25.0 112.15 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -62.7 -43.76 97.98 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.54 -0.911 . . . . 50.0 108.54 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -64.88 -35.72 82.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.264 -0.88 . . . . 50.0 109.838 177.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 24.6 m -66.28 -44.41 83.62 Favored 'General case' 0 C--O 1.213 -0.827 0 N-CA-C 108.208 -1.034 . . . . 50.0 108.208 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 22.3 mt -61.58 -40.76 87.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.892 -0.41 . . . . 50.0 109.892 178.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.69 -21.92 66.58 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.79 0.663 . . . . 25.0 112.79 179.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -107.64 -24.89 11.57 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 113.201 0.815 . . . . 50.0 113.201 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 7.0 ttm -66.59 154.7 39.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.522 0.677 . . . . 50.0 111.488 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -80.55 146.4 61.01 Favored Pre-proline 0 C--N 1.318 -0.802 0 N-CA-C 106.728 -1.582 . . . . 25.0 106.728 -177.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -75.79 149.29 33.38 Favored 'Trans proline' 0 CA--C 1.518 -0.277 0 CA-C-N 119.071 0.704 . . . . 50.0 111.481 176.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -109.22 127.95 54.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.339 0.59 . . . . 50.0 112.352 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 73.0 p -134.82 46.22 2.47 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.595 -0.891 . . . . 25.0 108.595 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -93.63 -169.33 38.6 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 111.539 -0.624 . . . . 50.0 111.539 -177.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -71.13 -28.53 18.78 Favored 'Trans proline' 0 C--O 1.214 -0.717 0 CA-C-N 119.038 1.419 . . . . 50.0 114.654 -178.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -99.27 38.42 1.41 Allowed 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 107.65 -1.241 . . . . 50.0 107.65 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 78.1 p -86.93 152.48 22.39 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.454 1.121 . . . . 50.0 113.677 -174.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 11.1 m -134.75 160.73 67.32 Favored Pre-proline 0 C--N 1.317 -0.815 0 N-CA-C 102.939 -2.986 . . . . 50.0 102.939 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -74.99 46.08 1.46 Allowed 'Trans proline' 0 CA--C 1.546 1.08 0 C-N-CA 121.367 1.378 . . . . 50.0 113.713 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -175.31 32.45 0.09 OUTLIER Glycine 0 C--N 1.323 -0.162 0 N-CA-C 109.385 -1.486 . . . . 50.0 109.385 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -100.51 142.97 31.24 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 113.996 -1.102 . . . . 25.0 111.261 -176.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 55.1 mt -133.99 138.18 45.25 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 124.154 0.982 . . . . 50.0 108.372 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -89.65 104.24 16.82 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 106.966 -1.494 . . . . 50.0 106.966 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -80.65 -32.46 36.13 Favored 'General case' 0 CA--C 1.485 -1.522 0 CA-C-N 114.835 -1.075 . . . . 50.0 109.438 -176.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 2.6 mtt -65.97 -30.44 71.01 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 108.826 -0.805 . . . . 50.0 108.826 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.5 t -85.38 -17.75 35.77 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 114.075 1.139 . . . . 50.0 114.075 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -58.49 -34.61 71.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.092 0.472 . . . . 50.0 111.911 -177.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 21.1 t -56.16 -29.11 60.34 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 112.612 0.597 . . . . 50.0 112.612 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 14.1 t -110.08 -2.08 17.18 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.046 1.128 . . . . 25.0 114.046 -178.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -156.16 129.39 8.11 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.626 -0.671 . . . . 25.0 112.407 -178.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 1.7 pt? . . . . . 0 C--N 1.323 -0.583 0 N-CA-C 106.659 -1.608 . . . . 50.0 106.659 175.549 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 746' ' ' GLU . . . . . 0.452 ' CD ' ' H ' ' A' ' 746' ' ' GLU . 2.0 mp0 . . . . . 0 CA--C 1.499 -1.001 0 CA-C-O 122.235 1.016 . . . . 50.0 108.631 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.73 -60.42 3.86 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 113.921 -1.49 . . . . 50.0 112.326 177.312 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.02 -26.32 60.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.267 -0.896 . . . . 50.0 111.303 178.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.28 -52.87 51.44 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.274 -0.421 . . . . 50.0 111.291 179.149 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -68.84 -33.28 73.55 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.167 -0.679 . . . . 50.0 109.167 -178.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -60.49 -46.79 88.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.254 0.549 . . . . 50.0 110.614 176.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 13.0 mtp85 -68.32 -40.38 81.66 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 116.472 -0.331 . . . . 50.0 110.32 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.52 -40.32 92.83 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.882 -0.327 . . . . 25.0 111.45 -178.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 45.9 m -65.16 -44.54 88.21 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 117.824 0.284 . . . . 25.0 110.869 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -41.05 96.33 Favored 'General case' 0 C--O 1.21 -0.985 0 N-CA-C 108.917 -0.772 . . . . 50.0 108.917 177.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.47 -33.56 73.09 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.783 0.66 . . . . 50.0 112.783 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -66.71 -34.42 77.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.089 0.471 . . . . 50.0 110.238 -178.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -90.93 -35.03 14.96 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 115.986 -0.552 . . . . 50.0 110.122 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -92.99 70.62 4.6 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-O 122.204 1.002 . . . . 50.0 108.899 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -79.37 -0.77 34.04 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.693 -1.139 . . . . 50.0 110.565 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -90.36 -11.47 40.53 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 107.132 -1.433 . . . . 50.0 107.132 174.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 51.15 35.35 13.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.423 -1.262 . . . . 25.0 113.027 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 90.7 p -74.47 -20.82 59.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.778 -0.646 . . . . 25.0 110.518 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 96.55 0.44 60.91 Favored Glycine 0 C--O 1.243 0.658 0 N-CA-C 110.0 -1.24 . . . . 50.0 110.0 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 3.1 p -145.06 160.63 41.09 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 123.263 0.625 . . . . 25.0 110.963 -176.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 766' ' ' LEU . . . . . 0.453 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 22.5 mt -141.26 175.03 9.97 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 107.187 -1.412 . . . . 50.0 107.187 175.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -84.59 -179.41 51.38 Favored Glycine 0 C--O 1.241 0.593 0 N-CA-C 110.043 -1.223 . . . . 50.0 110.043 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.97 -31.43 19.63 Favored 'Trans proline' 0 CA--C 1.528 0.217 0 N-CA-C 115.153 1.174 . . . . 50.0 115.153 -175.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -84.88 -33.63 22.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.506 0.669 . . . . 50.0 109.611 -177.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 58.5 mp0 -63.93 -55.79 20.02 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.571 -0.74 . . . . 50.0 109.781 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 771' ' ' PHE . . . . . 0.453 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.4 OUTLIER -59.89 -31.08 69.47 Favored 'General case' 0 C--O 1.213 -0.835 0 N-CA-C 113.071 0.767 . . . . 50.0 113.071 173.791 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt -65.2 -45.97 82.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 119.033 0.833 . . . . 50.0 109.801 177.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.28 -25.66 62.54 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.176 0.512 . . . . 25.0 110.826 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 52.5 t -61.67 -36.19 80.13 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.624 -0.51 . . . . 50.0 109.624 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 11.9 mt -66.92 -33.03 74.7 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 121.471 0.653 . . . . 75.0 111.588 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 68.8 mt -58.55 -33.53 48.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-O 121.32 0.581 . . . . 50.0 110.046 -177.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 1.2 m -60.35 -23.59 64.38 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 122.97 0.508 . . . . 50.0 112.196 178.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 15.5 mt -93.92 -18.96 21.39 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 116.033 -0.53 . . . . 50.0 111.555 -178.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 118.4 36.76 0.9 Allowed Glycine 0 C--O 1.221 -0.687 0 CA-C-N 116.005 -0.543 . . . . 50.0 114.434 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -103.78 130.1 51.27 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.153 -0.616 . . . . 50.0 109.339 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -84.31 52.21 2.29 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.968 0.89 . . . . 50.0 110.795 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 44.5 mt . . . . . 0 C--N 1.327 -0.395 0 N-CA-C 108.209 -1.034 . . . . 50.0 108.209 -176.423 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.21 -1.365 0 N-CA-C 109.797 -1.321 . . . . 50.0 109.797 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.83 -33.56 70.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 118.387 1.094 . . . . 50.0 112.378 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.48 -36.77 84.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.683 0.278 . . . . 25.0 111.04 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -94.2 -17.37 22.78 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-O 121.899 0.856 . . . . 50.0 111.823 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -73.87 -32.42 63.62 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 107.203 -1.406 . . . . 50.0 107.203 174.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.65 -33.78 71.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.046 -0.524 . . . . 25.0 111.836 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 40.0 ptt85 -81.4 -30.06 33.73 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 108.273 -1.01 . . . . 50.0 108.273 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 40.4 mt -68.75 -51.06 49.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.916 -0.402 . . . . 50.0 109.916 -177.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 19.2 ptt? -60.04 -26.02 65.79 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.234 0.457 . . . . 50.0 112.234 -178.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 46.8 m -77.98 -20.33 52.83 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.211 0.448 . . . . 25.0 112.211 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 67.3 mt -93.72 -46.57 13.73 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.59 0 CA-C-O 121.348 0.594 . . . . 50.0 110.354 -176.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 32.8 m -74.83 -12.97 15.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.73 -0.668 . . . . 50.0 112.524 -176.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -150.56 70.69 8.93 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.582 -0.736 . . . . 50.0 111.242 -176.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -74.18 -13.44 23.4 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 117.178 -1.415 . . . . 50.0 112.373 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.38 -5.81 59.27 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.526 -0.307 . . . . 50.0 110.914 -178.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 57.49 45.82 18.98 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 123.712 0.805 . . . . 50.0 112.269 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 82.6 mt -70.93 -24.75 62.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.707 -1.133 . . . . 50.0 108.895 176.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.33 18.1 61.24 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.528 -0.76 . . . . 50.0 111.995 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 16.2 m -145.51 159.71 12.7 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 N-CA-C 109.179 -0.674 . . . . 50.0 109.179 -176.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 12.0 t -131.33 132.0 63.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.842 -0.617 . . . . 50.0 109.882 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 6.7 t -97.47 158.93 15.22 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 109.685 -0.487 . . . . 25.0 109.685 178.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -50.33 -43.53 53.92 Favored 'General case' 0 C--O 1.215 -0.742 0 CA-C-O 121.462 0.649 . . . . 50.0 111.214 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -21.53 60.96 Favored 'General case' 0 C--N 1.318 -0.791 0 O-C-N 121.335 -0.853 . . . . 50.0 110.101 -175.109 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -77.06 -41.12 43.66 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 119.775 -0.77 . . . . 25.0 110.749 -176.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.417 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.0 OUTLIER -67.49 -29.56 69.02 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 119.194 -1.002 . . . . 50.0 110.332 178.103 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 20.2 mm -63.91 -25.9 39.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 121.058 0.456 . . . . 50.0 110.354 177.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -60.33 -47.69 84.95 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.209 -0.596 . . . . 50.0 110.684 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 815' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.9 p90 . . . . . 0 CA--C 1.505 -0.771 0 C-N-CA 119.644 -0.822 . . . . 50.0 112.588 -177.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.223 0 N-CA-C 109.676 -0.49 . . . . 50.0 109.676 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.33 -44.16 92.65 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 116.375 -0.375 . . . . 25.0 110.103 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 40.9 m -58.54 -44.11 89.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.945 0.402 . . . . 50.0 110.783 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -63.96 -44.63 92.2 Favored 'General case' 0 C--O 1.204 -1.333 0 N-CA-C 108.799 -0.815 . . . . 50.0 108.799 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -57.87 -31.93 67.19 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.66 0.615 . . . . 50.0 112.66 -176.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 26.0 mt -72.98 -42.54 59.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 N-CA-C 108.678 -0.86 . . . . 50.0 108.678 -177.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.36 -22.85 30.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.439 0.637 . . . . 50.0 112.163 -177.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -84.92 -13.89 49.39 Favored 'General case' 0 C--O 1.206 -1.2 0 N-CA-C 113.124 0.787 . . . . 25.0 113.124 -178.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -47.38 -27.61 4.16 Favored Glycine 0 C--O 1.227 -0.284 0 N-CA-C 116.719 1.448 . . . . 50.0 116.719 -175.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -73.63 -14.34 61.16 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 117.795 0.798 . . . . 25.0 112.68 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -137.48 -172.71 3.29 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 123.162 0.585 . . . . 50.0 109.436 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -109.65 14.46 23.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 121.813 -0.554 . . . . 50.0 111.245 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -159.92 178.76 9.41 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.541 0.21 . . . . 50.0 110.779 -176.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -133.58 152.08 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 N-CA-C 108.175 -1.046 . . . . 50.0 108.175 -177.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 76.4 p -104.52 164.63 11.61 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 107.799 -1.186 . . . . 25.0 107.799 171.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.93 -35.63 69.28 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.173 -1.376 . . . . 50.0 111.378 177.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -73.35 -42.3 62.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.55 -0.75 . . . . 25.0 110.919 -179.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -61.05 -46.6 90.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.831 -0.622 . . . . 50.0 112.032 -178.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.0 pp -71.11 -26.44 63.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.755 0.312 . . . . 50.0 111.334 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -67.36 -12.97 61.52 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.7 -0.625 . . . . 50.0 111.221 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -62.91 -31.34 72.39 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 109.507 -0.553 . . . . 50.0 109.507 175.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -90.33 -36.7 14.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.012 -0.54 . . . . 50.0 111.728 -174.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.77 77.58 76.08 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.047 -0.524 . . . . 50.0 110.156 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -59.71 -28.7 87.95 Favored 'Trans proline' 0 CA--C 1.554 1.517 0 N-CA-C 119.132 2.705 . . . . 25.0 119.132 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -77.38 -161.03 0.13 Allowed 'Trans proline' 0 C--N 1.363 1.33 0 C-N-CA 114.246 -3.37 . . . . 50.0 112.68 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -55.35 -16.83 3.88 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.304 1.224 . . . . 50.0 114.304 -178.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -51.77 -40.62 60.64 Favored 'General case' 0 N--CA 1.447 -0.611 0 O-C-N 122.052 -0.405 . . . . 50.0 111.842 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.29 97.74 Favored 'General case' 0 C--O 1.206 -1.202 0 C-N-CA 120.919 -0.312 . . . . 25.0 110.475 178.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -68.6 -38.18 80.39 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.014 0.435 . . . . 50.0 110.597 -176.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -66.51 -31.37 72.05 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.091 -0.707 . . . . 50.0 109.091 175.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 60.1 m -72.89 -44.47 61.25 Favored 'General case' 0 C--O 1.211 -0.969 0 N-CA-C 109.691 -0.485 . . . . 50.0 109.691 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 17.4 mt -60.5 -38.59 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 N-CA-C 109.823 -0.436 . . . . 50.0 109.823 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -63.92 -26.21 68.49 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.569 0.581 . . . . 25.0 112.569 178.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -105.92 -19.39 13.75 Favored 'General case' 0 C--O 1.212 -0.885 0 N-CA-C 113.554 0.946 . . . . 50.0 113.554 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 10.7 ttm -66.35 157.47 31.71 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 108.354 -0.98 . . . . 50.0 108.354 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -84.88 143.02 39.61 Favored Pre-proline 0 C--N 1.314 -0.95 0 N-CA-C 107.638 -1.245 . . . . 25.0 107.638 -176.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -74.69 148.32 36.64 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 CA-C-O 121.584 0.577 . . . . 50.0 112.594 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -111.59 127.33 55.7 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.422 -0.808 . . . . 50.0 113.086 -178.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 2.4 m -131.24 54.75 1.89 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.628 0.728 . . . . 25.0 109.582 178.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -100.94 -168.97 28.4 Favored Glycine 0 CA--C 1.521 0.43 0 CA-C-N 115.736 -0.665 . . . . 50.0 112.909 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -70.52 -28.51 21.5 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 CA-C-N 118.785 1.293 . . . . 50.0 114.626 -178.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -95.52 18.62 12.39 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.58 0.705 . . . . 50.0 109.845 -177.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 81.2 p -72.52 148.04 45.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 122.666 1.222 . . . . 50.0 113.731 -172.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 15.6 m -133.21 161.04 66.17 Favored Pre-proline 0 C--N 1.32 -0.688 0 N-CA-C 105.946 -1.872 . . . . 50.0 105.946 -178.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -60.24 91.36 0.09 OUTLIER 'Trans proline' 0 C--N 1.353 0.77 0 N-CA-C 114.949 1.096 . . . . 50.0 114.949 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 115.52 11.59 10.36 Favored Glycine 0 C--O 1.21 -1.403 0 CA-C-N 115.12 -0.946 . . . . 50.0 113.599 177.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -59.16 146.78 37.67 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 123.836 0.855 . . . . 25.0 109.385 177.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 11.6 mt -133.24 138.31 46.43 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.847 -0.615 . . . . 50.0 109.67 -175.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -90.0 111.07 22.04 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 105.344 -2.095 . . . . 50.0 105.344 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -80.38 -34.64 36.23 Favored 'General case' 0 CA--C 1.505 -0.761 0 N-CA-C 108.93 -0.767 . . . . 50.0 108.93 -177.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 5.1 mmm -63.51 -29.04 70.37 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.439 0.637 . . . . 50.0 110.01 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 3.3 t -88.03 -12.99 42.75 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.653 0.982 . . . . 50.0 113.653 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -56.26 -43.91 79.19 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.268 0.84 . . . . 50.0 113.268 -177.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 50.8 m -64.36 -8.1 11.99 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 114.122 1.156 . . . . 50.0 114.122 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 32.5 p -109.25 -17.43 13.83 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.214 0.82 . . . . 25.0 113.214 178.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -158.03 144.33 17.45 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.782 0.66 . . . . 25.0 112.782 -177.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 C--N 1.328 -0.346 0 N-CA-C 105.746 -1.946 . . . . 50.0 105.746 177.177 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 . . . . . 0 C--O 1.224 -0.249 0 N-CA-C 110.342 -0.244 . . . . 50.0 110.342 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 747' ' ' GLN . . . . . 0.4 ' HA ' HE21 ' A' ' 747' ' ' GLN . 0.2 OUTLIER -61.39 -56.67 17.71 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.593 -0.443 . . . . 50.0 110.508 176.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 2.6 ptm -58.28 -26.17 62.67 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 119.98 -0.688 . . . . 50.0 111.073 179.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.62 -50.46 64.97 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 123.413 0.446 . . . . 50.0 111.173 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -72.44 -31.74 65.72 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 109.309 -0.626 . . . . 50.0 109.309 -178.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -62.15 -50.71 70.78 Favored 'General case' 0 C--O 1.243 0.735 0 N-CA-C 109.928 -0.397 . . . . 50.0 109.928 175.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -65.57 -40.99 93.38 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 120.373 -0.531 . . . . 50.0 111.645 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -70.51 -37.4 74.15 Favored 'General case' 0 C--O 1.21 -0.982 0 O-C-N 123.332 0.395 . . . . 25.0 111.117 -176.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 43.0 m -68.96 -42.36 76.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 119.038 0.835 . . . . 25.0 110.56 178.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.45 -44.55 84.84 Favored 'General case' 0 C--O 1.209 -1.038 0 N-CA-C 108.276 -1.009 . . . . 50.0 108.276 176.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.03 -31.23 65.98 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 115.584 1.698 . . . . 50.0 115.584 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -69.13 -30.77 69.11 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.186 -1.042 . . . . 50.0 108.186 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -91.31 -34.68 14.82 Favored 'General case' 0 CA--C 1.559 1.32 0 N-CA-C 108.373 -0.973 . . . . 50.0 108.373 -178.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -92.93 71.88 4.73 Favored 'General case' 0 C--O 1.207 -1.156 0 C-N-CA 123.405 0.682 . . . . 50.0 109.494 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -80.8 -2.09 45.73 Favored 'General case' 0 CA--C 1.496 -1.126 0 CA-C-N 114.358 -1.292 . . . . 50.0 111.533 -178.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -92.69 -16.19 25.81 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 108.426 -0.954 . . . . 50.0 108.426 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 61.17 34.66 18.81 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 113.996 -1.457 . . . . 25.0 112.691 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 69.8 m -74.38 -19.76 60.32 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.58 -0.282 . . . . 25.0 110.887 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 92.77 -0.79 70.51 Favored Glycine 0 C--O 1.243 0.678 0 N-CA-C 109.05 -1.62 . . . . 50.0 109.05 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 17.9 p -146.53 157.49 43.75 Favored 'General case' 0 N--CA 1.438 -1.071 0 O-C-N 124.444 0.732 . . . . 25.0 110.638 -174.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 17.0 mt -136.92 170.22 16.46 Favored 'General case' 0 CA--C 1.492 -1.274 0 N-CA-C 108.645 -0.872 . . . . 50.0 108.645 177.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.63 175.53 54.99 Favored Glycine 0 C--O 1.243 0.693 0 N-CA-C 110.463 -1.055 . . . . 50.0 110.463 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -70.12 -26.82 25.47 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 121.222 1.281 . . . . 50.0 112.274 -176.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -82.42 -38.99 23.26 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.349 -0.611 . . . . 50.0 109.349 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -67.65 -48.77 65.74 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 116.475 -0.329 . . . . 50.0 110.464 -177.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 771' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.09 -30.53 71.6 Favored 'General case' 0 C--O 1.202 -1.43 0 C-N-CA 119.333 -0.947 . . . . 50.0 111.65 173.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -59.8 -46.04 90.45 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 119.363 0.983 . . . . 50.0 109.004 177.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -76.5 -23.17 53.75 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.49 -0.777 . . . . 25.0 111.987 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 42.4 t -61.89 -39.56 92.36 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 109.487 -0.56 . . . . 50.0 109.487 177.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 18.2 mt -63.76 -29.47 70.67 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-O 121.506 0.67 . . . . 75.0 111.982 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 66.3 mt -61.0 -33.21 54.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.365 -0.379 . . . . 50.0 110.11 -176.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 80.5 p -67.88 -17.74 64.58 Favored 'General case' 0 C--O 1.211 -0.942 0 C-N-CA 120.368 -0.533 . . . . 50.0 112.27 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 13.4 mt -91.85 -14.36 29.86 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.642 0.734 . . . . 50.0 109.912 177.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 117.5 23.55 3.72 Favored Glycine 0 C--O 1.226 -0.394 0 N-CA-C 115.019 0.768 . . . . 50.0 115.019 177.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -94.41 137.01 34.06 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.552 -0.969 . . . . 50.0 110.193 -176.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -88.13 46.39 1.38 Allowed 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 121.932 0.872 . . . . 50.0 113.32 -178.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 14.0 mt . . . . . 0 N--CA 1.474 0.749 0 CA-C-O 122.458 1.123 . . . . 50.0 108.393 -177.086 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.844 0 N-CA-C 110.741 -0.943 . . . . 50.0 110.741 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -59.74 -32.49 70.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.524 -0.986 . . . . 50.0 111.579 178.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -66.01 -35.6 81.0 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-O 120.795 0.331 . . . . 25.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -90.93 -17.05 27.05 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.921 -0.487 . . . . 50.0 109.976 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -79.38 -34.43 41.96 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 108.944 -0.761 . . . . 50.0 108.944 175.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.0 -32.32 69.59 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 122.025 -0.422 . . . . 25.0 112.057 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 4.9 ptt85 -83.58 -28.08 28.79 Favored 'General case' 0 C--O 1.211 -0.938 0 N-CA-C 109.88 -0.415 . . . . 75.0 109.88 177.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 47.5 mt -68.29 -47.93 75.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 O-C-N 122.098 -0.376 . . . . 50.0 110.318 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 12.4 ptt? -60.1 -27.55 67.11 Favored 'General case' 0 C--O 1.208 -1.113 0 O-C-N 121.997 -0.439 . . . . 50.0 111.74 -177.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 52.3 m -78.66 -16.04 57.78 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.438 -0.505 . . . . 25.0 111.735 -178.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 77.6 mt -92.65 -44.64 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.036 0 N-CA-C 109.455 -0.572 . . . . 50.0 109.455 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 22.3 m -82.76 -12.36 12.15 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 O-C-N 123.998 0.811 . . . . 50.0 111.704 -174.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -155.31 66.02 4.65 Favored Pre-proline 0 CA--C 1.557 1.214 0 CA-C-O 122.054 0.931 . . . . 50.0 111.431 -176.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -71.26 -13.96 31.13 Favored 'Trans proline' 0 CA--C 1.542 0.895 0 C-N-CA 115.202 -2.732 . . . . 50.0 112.867 178.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.24 -8.88 59.83 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 123.435 0.459 . . . . 50.0 110.151 -179.472 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 46.4 mmm-85 59.55 41.87 18.35 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 123.683 0.793 . . . . 50.0 111.748 178.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 82.5 mt -67.77 -25.58 65.68 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.067 0.947 . . . . 50.0 109.172 176.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 86.91 18.15 58.47 Favored Glycine 0 N--CA 1.436 -1.335 0 CA-C-N 115.068 -0.969 . . . . 50.0 112.218 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 16.3 m -143.93 154.56 15.71 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.6 0 N-CA-C 107.384 -1.339 . . . . 50.0 107.384 -176.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 17.8 t -132.86 133.49 58.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 115.349 -0.842 . . . . 50.0 108.926 -177.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.31 158.57 15.39 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 108.177 -1.045 . . . . 25.0 108.177 -178.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -50.57 -43.89 56.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.918 0.866 . . . . 50.0 112.67 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -29.73 70.11 Favored 'General case' 0 C--O 1.211 -0.931 0 CA-C-N 115.857 -0.61 . . . . 50.0 110.934 -178.115 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -72.35 -41.73 66.1 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 119.619 -0.833 . . . . 25.0 112.187 -174.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.439 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 0.6 OUTLIER -66.86 -32.61 73.99 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 118.714 -1.194 . . . . 50.0 110.107 176.269 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 24.2 mm -64.55 -30.48 50.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 108.566 -0.902 . . . . 50.0 108.566 176.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -59.52 -39.98 85.64 Favored 'General case' 0 C--N 1.312 -1.047 0 C-N-CA 120.38 -0.528 . . . . 50.0 110.902 -176.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 815' ' ' PHE . . . . . 0.439 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 2.6 p90 . . . . . 0 C--N 1.32 -0.694 0 C-N-CA 119.762 -0.775 . . . . 50.0 112.499 176.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.207 -1.167 0 CA-C-O 120.792 0.33 . . . . 50.0 111.787 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -57.23 -39.39 75.42 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.973 -0.558 . . . . 25.0 110.597 177.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 97.6 p -64.6 -45.48 86.76 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.518 -0.739 . . . . 50.0 110.703 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -64.51 -41.1 96.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 118.134 0.425 . . . . 50.0 110.378 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -57.8 -32.27 67.38 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-O 121.432 0.634 . . . . 50.0 111.882 -175.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 69.8 mt -65.12 -42.26 93.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 108.763 -0.828 . . . . 50.0 108.763 -178.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.22 -24.68 23.2 Favored 'General case' 0 C--O 1.211 -0.96 0 C-N-CA 120.666 -0.414 . . . . 50.0 111.851 -177.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -89.03 -5.97 57.52 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 112.838 0.681 . . . . 25.0 112.838 -175.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -55.04 -27.87 46.95 Favored Glycine 0 C--N 1.338 0.658 0 N-CA-C 115.612 1.005 . . . . 50.0 115.612 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -71.64 -16.13 62.26 Favored 'General case' 0 C--O 1.211 -0.946 0 O-C-N 121.792 -0.828 . . . . 25.0 111.63 176.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -130.85 -159.84 1.0 Allowed 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 121.053 0.454 . . . . 50.0 110.429 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -125.69 14.42 8.09 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.45 -0.944 . . . . 50.0 108.45 172.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -154.05 176.84 11.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.471 -0.786 . . . . 50.0 110.163 -178.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -137.38 152.97 28.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.309 -0.997 . . . . 50.0 108.309 -175.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 34.6 p -103.47 162.17 13.26 Favored 'General case' 0 C--N 1.314 -0.951 0 O-C-N 121.048 -1.032 . . . . 25.0 111.9 173.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 75.6 mtm -59.81 -29.75 68.44 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 114.556 -1.202 . . . . 50.0 111.099 176.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -79.01 -39.8 33.11 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 122.969 1.366 . . . . 25.0 110.52 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -64.78 -47.05 79.54 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 114.812 -1.086 . . . . 50.0 112.89 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.4 pp -68.48 -17.1 64.11 Favored 'General case' 0 CA--C 1.55 0.97 0 O-C-N 121.25 -0.906 . . . . 50.0 109.572 -178.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.61 -16.62 63.42 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 109.85 -0.426 . . . . 50.0 109.85 177.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -75.21 -24.84 57.8 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.2 0.454 . . . . 50.0 110.168 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -82.65 -46.69 12.94 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 115.433 -0.803 . . . . 50.0 110.436 -178.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.55 84.25 56.04 Favored Pre-proline 0 CA--C 1.546 0.801 0 CA-C-N 115.476 -0.784 . . . . 50.0 109.348 -177.129 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -63.22 -23.11 72.73 Favored 'Trans proline' 0 CA--C 1.55 1.288 0 N-CA-C 118.589 2.496 . . . . 25.0 118.589 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -78.23 -168.62 0.63 Allowed 'Trans proline' 0 C--N 1.365 1.422 1 C-N-CA 112.794 -4.337 . . . . 50.0 112.051 176.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -50.33 -16.5 0.34 Allowed 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 116.037 1.866 . . . . 50.0 116.037 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -53.31 -38.32 63.07 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 121.921 -0.487 . . . . 50.0 111.426 175.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.88 -38.87 92.7 Favored 'General case' 0 C--O 1.21 -0.978 0 C-N-CA 120.462 -0.495 . . . . 25.0 111.895 174.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -68.1 -39.28 82.86 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.868 0.842 . . . . 50.0 109.086 -177.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -67.47 -30.65 70.42 Favored 'General case' 0 CA--C 1.518 -0.285 0 O-C-N 121.885 -0.51 . . . . 50.0 110.606 175.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 51.8 m -73.24 -45.41 56.14 Favored 'General case' 0 C--O 1.211 -0.937 0 N-CA-C 108.48 -0.933 . . . . 50.0 108.48 178.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 21.6 mt -60.45 -38.5 78.16 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.134 0 CA-C-N 118.605 0.638 . . . . 50.0 110.252 178.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.93 -8.08 20.38 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 114.053 1.131 . . . . 25.0 114.053 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -121.53 -37.12 2.94 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.994 -0.441 . . . . 50.0 111.796 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 41.7 ttm -61.63 141.34 57.87 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 122.027 0.918 . . . . 50.0 113.031 -175.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -71.07 141.68 86.77 Favored Pre-proline 0 C--N 1.317 -0.832 0 CA-C-N 115.227 -0.897 . . . . 25.0 112.037 -172.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -73.46 151.79 48.2 Favored 'Trans proline' 0 CA--C 1.513 -0.544 0 CA-C-O 121.87 0.696 . . . . 50.0 112.836 176.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -109.45 142.3 40.65 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.586 -0.734 . . . . 50.0 111.303 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 9.9 t -141.88 135.0 29.06 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 103.276 -2.861 . . . . 25.0 103.276 173.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 173.09 -174.24 45.86 Favored Glycine 0 C--N 1.34 0.769 0 C-N-CA 119.851 -1.166 . . . . 50.0 110.549 -176.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -67.94 -31.64 30.53 Favored 'Trans proline' 0 C--N 1.347 0.492 0 CA-C-N 119.276 1.538 . . . . 50.0 114.803 -178.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -98.53 20.17 13.27 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 122.287 1.042 . . . . 50.0 109.339 -176.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 53.8 p -76.42 156.31 33.25 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 123.718 1.723 . . . . 50.0 114.602 -174.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 3.9 m -138.49 161.19 60.25 Favored Pre-proline 0 C--N 1.308 -1.214 0 N-CA-C 103.587 -2.745 . . . . 50.0 103.587 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -71.7 12.24 0.57 Allowed 'Trans proline' 0 C--N 1.369 1.617 0 N-CA-C 114.975 1.106 . . . . 50.0 114.975 -176.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -138.65 36.52 1.89 Allowed Glycine 0 C--O 1.218 -0.861 0 N-CA-C 109.815 -1.314 . . . . 50.0 109.815 174.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -95.04 139.82 30.86 Favored 'General case' 0 C--O 1.259 1.574 0 C-N-CA 123.09 0.556 . . . . 25.0 109.749 -178.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 57.5 mt -134.95 140.53 45.8 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 107.382 -1.34 . . . . 50.0 107.382 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -89.7 101.21 13.9 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 106.531 -1.655 . . . . 50.0 106.531 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -69.63 -38.05 77.03 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-N 115.158 -0.928 . . . . 50.0 109.291 -177.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 1.1 mmt -62.54 -26.95 68.83 Favored 'General case' 0 C--N 1.316 -0.853 0 O-C-N 121.281 -0.887 . . . . 50.0 109.26 -178.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 8.9 t -79.51 -28.71 41.39 Favored 'General case' 0 C--N 1.346 0.418 0 N-CA-C 113.899 1.074 . . . . 50.0 113.899 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -60.08 -36.56 77.65 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 113.661 0.986 . . . . 50.0 113.661 -177.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 22.3 t -58.86 -30.2 67.54 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.795 -0.762 . . . . 50.0 112.165 176.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 33.9 p -99.54 -18.23 17.49 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 121.415 -0.803 . . . . 25.0 113.138 -176.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -154.52 137.37 15.36 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 112.829 0.677 . . . . 25.0 112.829 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.323 -0.553 0 N-CA-C 104.163 -2.532 . . . . 50.0 104.163 176.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 C--O 1.217 -0.651 0 N-CA-C 110.583 -0.155 . . . . 50.0 110.583 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.25 -56.73 4.55 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 109.477 -0.564 . . . . 50.0 109.477 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 19.4 ptp -57.72 -25.11 59.92 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 119.703 -0.799 . . . . 50.0 110.917 178.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.57 -54.21 43.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.873 -0.603 . . . . 50.0 109.995 178.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -72.55 -33.59 66.93 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.856 -0.424 . . . . 50.0 109.856 -177.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -60.34 -43.11 96.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.056 0.455 . . . . 50.0 110.567 176.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 2.4 mtp85 -70.87 -41.85 70.84 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.611 -0.515 . . . . 50.0 109.611 178.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.14 93.51 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 113.234 0.828 . . . . 25.0 113.234 -178.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 10.3 t -68.56 -41.88 79.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 118.316 0.507 . . . . 25.0 109.916 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -40.57 94.61 Favored 'General case' 0 C--O 1.206 -1.209 0 N-CA-C 108.032 -1.099 . . . . 50.0 108.032 177.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.47 -29.21 65.7 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.75 1.018 . . . . 50.0 113.75 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -71.52 -35.31 70.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.237 0.541 . . . . 50.0 110.307 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -90.68 -37.53 13.68 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 115.949 -0.568 . . . . 50.0 109.982 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -91.67 70.49 5.77 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 108.755 -0.831 . . . . 50.0 108.755 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -74.19 -5.87 44.45 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.925 -1.034 . . . . 50.0 110.742 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -88.63 -14.21 38.01 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.425 -0.954 . . . . 50.0 108.425 177.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 54.03 36.89 25.67 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 114.458 -1.247 . . . . 25.0 113.03 -179.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 89.9 p -72.62 -21.77 61.06 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.74 -0.663 . . . . 25.0 109.91 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 97.9 -1.8 59.74 Favored Glycine 0 C--O 1.244 0.77 0 N-CA-C 111.204 -0.758 . . . . 50.0 111.204 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 3.9 p -146.43 161.9 39.41 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 123.216 0.607 . . . . 25.0 110.779 -176.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 766' ' ' LEU . . . . . 0.453 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 20.0 mt -143.29 173.41 11.62 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.841 -0.8 . . . . 50.0 108.841 176.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -78.49 175.07 54.99 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.897 -0.881 . . . . 50.0 110.897 -179.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -65.02 -34.85 45.65 Favored 'Trans proline' 0 C--O 1.215 -0.634 0 C-N-CA 121.683 1.589 . . . . 50.0 113.52 -177.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -81.87 -35.5 29.22 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 121.044 -0.262 . . . . 50.0 111.113 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -64.26 -51.46 63.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.08 0.467 . . . . 50.0 110.041 -178.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 771' ' ' PHE . . . . . 0.453 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.2 OUTLIER -63.82 -25.4 68.16 Favored 'General case' 0 C--O 1.215 -0.763 0 O-C-N 121.536 -0.728 . . . . 50.0 112.778 174.599 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -70.66 -42.3 70.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 118.377 0.535 . . . . 50.0 110.172 177.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -73.06 -23.75 60.6 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.919 0.866 . . . . 25.0 110.571 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 14.0 t -64.74 -31.04 72.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.524 -0.762 . . . . 50.0 109.322 175.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . 0.407 ' HB3' ' CG ' ' A' ' 780' ' ' TYR . 14.7 mt -72.3 -33.84 67.71 Favored 'General case' 0 CA--C 1.51 -0.593 0 O-C-N 121.906 -0.496 . . . . 75.0 110.404 177.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.5 mt -58.31 -34.87 51.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.34 -0.615 . . . . 50.0 109.34 -178.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 49.8 m -62.92 -18.11 62.67 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.582 0.586 . . . . 50.0 112.582 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 19.2 mt -94.61 -24.19 17.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.137 0.494 . . . . 50.0 109.946 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 126.17 26.66 1.19 Allowed Glycine 0 C--O 1.224 -0.525 0 N-CA-C 115.023 0.769 . . . . 50.0 115.023 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 780' ' ' TYR . . . . . 0.407 ' CG ' ' HB3' ' A' ' 775' ' ' LEU . 10.4 m-85 -94.44 135.13 36.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 117.93 0.865 . . . . 50.0 108.751 -178.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -88.07 48.95 1.71 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 122.277 1.037 . . . . 50.0 110.557 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 41.5 mt . . . . . 0 N--CA 1.469 0.501 0 CA-C-N 115.398 -0.819 . . . . 50.0 109.565 -175.24 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -1.298 0 N-CA-C 110.135 -1.186 . . . . 50.0 110.135 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.88 -29.01 70.24 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 120.987 -1.302 . . . . 50.0 112.608 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -65.23 -44.19 89.02 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.558 -0.534 . . . . 25.0 109.558 178.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -85.49 -19.06 31.79 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-O 122.152 0.977 . . . . 50.0 109.947 -175.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -77.87 -29.23 50.23 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 108.45 -0.944 . . . . 50.0 108.45 175.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -62.12 -34.97 77.33 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 120.896 0.379 . . . . 25.0 110.91 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.38 -32.45 48.89 Favored 'General case' 0 C--O 1.215 -0.745 0 N-CA-C 107.758 -1.201 . . . . 50.0 107.758 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 42.8 mt -66.75 -50.72 63.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.866 -0.42 . . . . 50.0 109.866 -176.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 20.1 ptt? -60.68 -26.14 66.89 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-O 120.865 0.364 . . . . 50.0 111.621 -178.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 44.1 m -78.87 -19.01 52.97 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.484 0.55 . . . . 25.0 112.484 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 67.3 mt -96.38 -45.79 12.97 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.634 0 CA-C-O 121.181 0.515 . . . . 50.0 110.734 -177.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 28.5 m -76.6 -14.67 14.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 120.948 0.404 . . . . 50.0 111.769 -177.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -150.95 68.89 8.3 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.455 -0.793 . . . . 50.0 111.882 -176.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -72.55 -14.52 27.6 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 118.013 -0.858 . . . . 50.0 112.064 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -86.66 -6.03 58.96 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 116.487 -0.324 . . . . 50.0 111.232 -178.24 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 57.98 46.12 17.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.765 0.793 . . . . 50.0 111.618 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 85.8 mt -72.14 -23.09 61.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.471 -1.241 . . . . 50.0 109.093 176.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.01 19.06 59.92 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.656 -0.702 . . . . 50.0 111.62 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 19.9 m -144.22 156.57 15.36 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 CA-C-O 121.179 0.514 . . . . 50.0 110.166 -176.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 11.9 t -130.76 131.82 64.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.17 -0.678 . . . . 50.0 109.17 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 9.0 t -99.01 160.06 14.52 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.057 -0.349 . . . . 25.0 110.057 178.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -49.91 -44.39 50.16 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-O 121.502 0.667 . . . . 50.0 111.034 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.38 -20.85 60.65 Favored 'General case' 0 C--N 1.315 -0.899 0 O-C-N 121.48 -0.762 . . . . 50.0 111.0 -175.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -76.52 -40.35 50.29 Favored 'General case' 0 C--O 1.216 -0.679 0 C-N-CA 119.997 -0.681 . . . . 25.0 110.678 -177.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.426 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 0.8 OUTLIER -69.5 -30.54 68.43 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 119.102 -1.039 . . . . 50.0 109.787 178.48 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 20.9 mm -64.13 -26.96 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 121.355 0.597 . . . . 50.0 110.282 176.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -63.19 -43.44 98.17 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 121.566 -0.709 . . . . 50.0 109.806 -179.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 815' ' ' PHE . . . . . 0.426 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.1 p90 . . . . . 0 C--O 1.218 -0.577 0 C-N-CA 119.598 -0.841 . . . . 50.0 112.256 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.378 0 CA-C-O 120.672 0.273 . . . . 50.0 110.435 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.48 -36.44 78.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.175 -0.466 . . . . 25.0 110.092 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 6.1 t -65.76 -42.67 90.6 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.041 0.386 . . . . 50.0 112.041 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -66.83 -30.28 70.42 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 120.993 -1.067 . . . . 50.0 110.295 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -63.45 -20.59 65.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.957 -0.565 . . . . 50.0 111.53 -179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 71.2 mt -73.74 -49.03 37.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 108.544 -0.91 . . . . 50.0 108.544 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.93 -27.83 26.29 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.041 -0.663 . . . . 50.0 111.168 -172.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -94.76 8.09 43.7 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 112.373 0.508 . . . . 25.0 112.373 -178.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -66.29 -22.71 71.24 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 107.718 -2.153 . . . . 50.0 107.718 172.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -64.24 -28.61 69.85 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.611 0.244 . . . . 25.0 110.877 175.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -129.83 -150.91 0.45 Allowed 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 109.098 -0.705 . . . . 50.0 109.098 -178.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -130.11 15.02 5.71 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 109.274 -0.639 . . . . 50.0 109.274 173.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -158.58 178.76 9.78 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.409 -1.33 . . . . 50.0 107.409 -177.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -134.74 153.38 34.83 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.817 0 N-CA-C 108.815 -0.809 . . . . 50.0 108.815 -177.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 76.4 p -104.91 162.17 13.57 Favored 'General case' 0 CA--C 1.494 -1.176 0 N-CA-C 108.097 -1.075 . . . . 25.0 108.097 175.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 72.9 mtm -59.1 -33.71 71.16 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.003 -0.999 . . . . 50.0 110.082 176.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -73.47 -41.08 63.6 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.786 -0.643 . . . . 25.0 110.457 -178.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -67.41 -48.02 68.55 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.787 -0.642 . . . . 50.0 111.234 -177.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.6 pp -64.33 -26.19 68.37 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.89 -0.724 . . . . 50.0 110.607 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -71.79 -11.48 60.83 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.714 -0.616 . . . . 50.0 112.251 178.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -68.79 -30.0 68.48 Favored 'General case' 0 C--O 1.22 -0.485 0 O-C-N 121.318 -0.864 . . . . 50.0 108.867 176.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -83.96 -39.49 19.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.595 0.712 . . . . 50.0 110.84 -175.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.52 80.14 72.49 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.545 -0.752 . . . . 50.0 109.5 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -61.08 -27.66 84.67 Favored 'Trans proline' 0 CA--C 1.559 1.729 0 N-CA-C 119.214 2.736 . . . . 25.0 119.214 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -78.72 -159.74 0.11 Allowed 'Trans proline' 0 C--N 1.364 1.354 0 C-N-CA 113.962 -3.559 . . . . 50.0 112.84 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.81 -20.34 2.15 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 114.468 1.284 . . . . 50.0 114.468 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -53.55 -39.41 64.71 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.471 0.545 . . . . 50.0 112.471 176.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.96 -38.76 92.04 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-O 120.899 0.381 . . . . 25.0 110.824 178.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -67.68 -37.8 82.84 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.069 0.461 . . . . 50.0 109.839 -177.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -66.94 -31.71 72.47 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.353 -0.61 . . . . 50.0 109.353 175.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 63.2 m -71.43 -43.04 67.46 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 110.056 -0.35 . . . . 50.0 110.056 178.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 24.7 mt -62.59 -38.14 80.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 N-CA-C 109.537 -0.542 . . . . 50.0 109.537 179.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -66.41 -9.41 33.5 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.902 -0.59 . . . . 25.0 112.582 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -116.57 -36.58 3.91 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.116 0.784 . . . . 50.0 113.116 -179.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.07 146.99 45.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.685 0.755 . . . . 50.0 112.696 -175.077 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -73.32 145.23 85.21 Favored Pre-proline 0 N--CA 1.442 -0.837 0 CA-C-N 115.233 -0.894 . . . . 25.0 109.182 -176.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -76.4 149.8 31.6 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 CA-C-O 121.534 0.556 . . . . 50.0 113.018 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -117.27 133.02 56.48 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.835 -0.62 . . . . 50.0 112.211 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 6.1 t -140.32 38.81 1.9 Allowed 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 107.716 -1.216 . . . . 25.0 107.716 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -84.76 -164.78 38.79 Favored Glycine 0 CA--C 1.521 0.439 0 CA-C-N 115.165 -0.925 . . . . 50.0 114.486 -176.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -69.62 -25.24 29.43 Favored 'Trans proline' 0 C--N 1.345 0.369 0 N-CA-C 115.492 1.305 . . . . 50.0 115.492 -176.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -108.6 37.63 2.47 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 107.706 -1.22 . . . . 50.0 107.706 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 79.0 p -81.79 150.4 27.91 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 114.466 1.284 . . . . 50.0 114.466 -176.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 9.7 m -135.87 163.85 47.48 Favored Pre-proline 0 C--N 1.318 -0.766 0 N-CA-C 103.796 -2.668 . . . . 50.0 103.796 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -67.92 -7.61 20.17 Favored 'Trans proline' 0 CA--C 1.537 0.629 0 N-CA-C 115.421 1.277 . . . . 50.0 115.421 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -117.11 33.19 5.14 Favored Glycine 0 C--O 1.228 -0.254 0 N-CA-C 111.589 -0.604 . . . . 50.0 111.589 177.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -92.37 139.81 30.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.773 0.796 . . . . 25.0 112.159 -176.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 51.0 mt -136.16 140.73 43.85 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 107.914 -1.143 . . . . 50.0 107.914 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -90.74 106.79 18.75 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 107.255 -1.387 . . . . 50.0 107.255 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -74.97 -38.12 61.76 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 108.303 -0.999 . . . . 50.0 108.303 -177.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 3.8 ttp -64.63 -21.76 66.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.346 0.593 . . . . 50.0 110.173 -176.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 4.9 t -92.26 -9.7 41.17 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.853 0.686 . . . . 50.0 112.853 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -62.73 -40.48 97.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.837 -0.539 . . . . 50.0 112.373 -177.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 46.3 m -61.66 -15.49 40.31 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.326 0.861 . . . . 50.0 113.326 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 71.6 p -108.79 -15.18 14.45 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.694 0.627 . . . . 25.0 112.694 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -158.81 129.18 5.95 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.05 0.389 . . . . 25.0 112.05 -177.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 C--N 1.324 -0.523 0 N-CA-C 105.024 -2.213 . . . . 50.0 105.024 175.142 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.219 -0.519 0 N-CA-C 111.36 0.133 . . . . 50.0 111.36 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.05 -58.08 3.54 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 109.441 -0.577 . . . . 50.0 109.441 -179.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 22.6 ptp -56.75 -26.42 57.27 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.961 -0.696 . . . . 50.0 111.471 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -56.09 23.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.962 -0.563 . . . . 50.0 110.148 179.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -72.58 -32.16 65.8 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.351 -0.386 . . . . 50.0 110.545 -177.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -60.15 -49.42 77.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.02 0.438 . . . . 50.0 109.999 175.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -65.08 -42.19 94.34 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 109.733 -0.469 . . . . 50.0 109.733 -179.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.39 -38.93 91.48 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.29 0.478 . . . . 25.0 112.29 -178.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 45.9 m -66.53 -45.46 79.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 118.194 0.452 . . . . 25.0 110.814 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -39.94 91.33 Favored 'General case' 0 C--O 1.208 -1.108 0 N-CA-C 108.69 -0.856 . . . . 50.0 108.69 177.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.71 -31.02 67.72 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.628 0.603 . . . . 50.0 112.628 179.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -68.58 -35.65 77.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.144 -0.347 . . . . 50.0 110.259 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -88.07 -38.6 15.29 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.985 -0.552 . . . . 50.0 109.857 178.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -88.3 68.84 9.04 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 122.512 1.149 . . . . 50.0 108.402 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -75.61 -2.41 29.13 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.546 -1.206 . . . . 50.0 110.744 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -97.89 -0.46 44.94 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.232 -1.025 . . . . 50.0 108.232 178.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 19.8 p80 40.28 40.77 0.88 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.238 1.415 . . . . 25.0 114.24 -177.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 45.4 t -71.36 -23.02 61.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.818 -0.628 . . . . 25.0 110.552 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 92.58 0.61 69.41 Favored Glycine 0 C--O 1.239 0.461 0 N-CA-C 109.838 -1.305 . . . . 50.0 109.838 -177.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -149.95 154.65 38.63 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 123.381 0.672 . . . . 25.0 109.518 -175.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 766' ' ' LEU . . . . . 0.451 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 19.7 mt -137.15 174.44 10.61 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.233 -1.025 . . . . 50.0 108.233 177.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.92 173.77 54.72 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 110.63 -0.988 . . . . 50.0 110.63 -179.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.69 -33.63 34.5 Favored 'Trans proline' 0 C--O 1.222 -0.287 0 CA-C-N 118.426 1.113 . . . . 50.0 113.06 -177.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -79.18 -35.72 41.4 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.867 0.365 . . . . 50.0 110.718 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -64.33 -55.42 21.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.837 0.351 . . . . 50.0 110.285 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 771' ' ' PHE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -58.9 -31.26 68.46 Favored 'General case' 0 C--O 1.213 -0.827 0 N-CA-C 112.608 0.596 . . . . 50.0 112.608 175.106 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -63.95 -45.34 89.58 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.755 0.707 . . . . 50.0 110.223 177.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -72.11 -24.94 61.56 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.257 0.551 . . . . 25.0 110.602 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 50.6 t -65.29 -28.51 69.38 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.921 -0.4 . . . . 50.0 109.921 176.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . 0.405 ' HB3' ' CG ' ' A' ' 780' ' ' TYR . 15.6 mt -70.9 -33.98 71.11 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-O 121.78 0.8 . . . . 75.0 109.966 178.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 62.6 mt -58.83 -35.27 55.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.703 -0.48 . . . . 50.0 109.703 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 19.4 t -62.3 -19.83 63.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.355 -0.384 . . . . 50.0 111.996 178.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 20.3 mt -94.67 -21.61 18.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.708 0.289 . . . . 50.0 110.606 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 120.18 34.37 0.96 Allowed Glycine 0 C--O 1.225 -0.449 0 CA-C-N 115.866 -0.607 . . . . 50.0 114.29 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 780' ' ' TYR . . . . . 0.405 ' CG ' ' HB3' ' A' ' 775' ' ' LEU . 10.1 m-85 -101.47 133.19 46.49 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.804 -0.813 . . . . 50.0 108.804 -179.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -84.24 50.04 1.78 Allowed 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 121.843 0.83 . . . . 50.0 110.35 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 53.6 mt . . . . . 0 C--N 1.329 -0.309 0 N-CA-C 108.827 -0.805 . . . . 50.0 108.827 -175.316 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.206 -1.652 0 N-CA-C 110.203 -1.159 . . . . 50.0 110.203 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -60.34 -35.25 75.21 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 118.054 0.927 . . . . 50.0 111.834 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.71 -36.09 82.72 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.196 -0.298 . . . . 25.0 110.196 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -94.31 -14.15 25.7 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.294 0.569 . . . . 50.0 111.309 -178.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -78.96 -33.28 45.38 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.544 -0.91 . . . . 50.0 108.544 173.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -61.23 -30.84 70.69 Favored 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 111.706 0.262 . . . . 25.0 111.706 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.81 -34.65 45.15 Favored 'General case' 0 C--O 1.208 -1.111 0 CA-C-O 122.053 0.93 . . . . 75.0 109.75 176.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 45.9 mt -64.23 -50.68 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 CA-C-N 114.688 -1.142 . . . . 50.0 109.444 -176.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 17.1 ptt? -62.43 -24.49 67.44 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.91 0.386 . . . . 50.0 111.165 -176.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 62.6 m -78.72 -19.42 52.41 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 112.362 0.505 . . . . 25.0 112.362 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 70.1 mt -94.86 -45.22 13.43 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.497 0 CA-C-O 121.337 0.589 . . . . 50.0 110.029 -177.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 27.0 m -76.11 -14.1 14.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.759 -0.655 . . . . 50.0 112.149 -177.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -149.71 68.27 8.98 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-O 121.746 0.784 . . . . 50.0 111.444 -177.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -74.31 -13.11 23.13 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 117.222 -1.385 . . . . 50.0 111.533 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.84 -7.63 59.4 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 116.185 -0.461 . . . . 50.0 111.158 -178.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 58.87 46.91 13.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.979 0.895 . . . . 50.0 111.861 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 83.1 mt -73.89 -25.17 59.88 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.098 -1.41 . . . . 50.0 108.822 176.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 84.76 18.12 62.24 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.384 -0.825 . . . . 50.0 111.503 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 15.0 m -147.83 160.06 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 108.796 -0.816 . . . . 50.0 108.796 -175.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 10.7 t -129.79 131.86 66.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.015 -0.539 . . . . 50.0 110.31 -178.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 8.0 t -97.7 159.48 14.9 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 109.662 -0.496 . . . . 25.0 109.662 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -50.73 -44.37 58.29 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-O 121.603 0.716 . . . . 50.0 111.285 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -21.09 61.42 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.578 -0.701 . . . . 50.0 110.341 -174.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -76.65 -41.71 44.69 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 119.787 -0.765 . . . . 25.0 110.957 -176.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.4 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 0.7 OUTLIER -67.19 -30.35 70.27 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 119.657 -0.817 . . . . 50.0 110.209 178.283 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 22.0 mm -63.42 -26.51 40.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 121.231 0.539 . . . . 50.0 110.522 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -63.0 -46.4 87.83 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 119.119 -1.033 . . . . 50.0 109.78 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 815' ' ' PHE . . . . . 0.4 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.8 p90 . . . . . 0 CA--C 1.51 -0.591 0 O-C-N 120.877 -1.139 . . . . 50.0 111.712 -178.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 15.6 ttm . . . . . 0 CA--C 1.514 -0.415 0 N-CA-C 109.675 -0.491 . . . . 50.0 109.675 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -55.55 -37.62 68.24 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.265 -0.425 . . . . 25.0 110.63 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 15.4 m -70.48 -41.96 72.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.065 0.46 . . . . 50.0 111.078 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -63.86 -36.61 84.49 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-O 121.161 0.505 . . . . 50.0 109.711 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -63.99 -19.5 65.21 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.758 0.651 . . . . 50.0 112.758 -178.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 61.7 mt -81.72 -44.53 20.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.215 -0.661 . . . . 50.0 109.215 178.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.22 -33.0 24.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.356 0.598 . . . . 50.0 110.989 -173.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -108.78 17.54 21.75 Favored 'General case' 0 C--O 1.206 -1.204 0 CA-C-N 115.557 -0.747 . . . . 25.0 112.329 -177.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -66.3 -19.95 68.92 Favored Glycine 0 C--O 1.223 -0.555 0 N-CA-C 107.742 -2.143 . . . . 50.0 107.742 171.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -74.87 -23.84 58.47 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.426 -0.887 . . . . 25.0 111.739 176.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -123.66 -175.6 3.25 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.867 -0.521 . . . . 50.0 110.206 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -106.62 8.76 31.34 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.64 -0.663 . . . . 50.0 109.769 174.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -156.85 178.75 9.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.571 -0.286 . . . . 50.0 110.315 -177.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -136.53 152.12 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 N-CA-C 108.68 -0.859 . . . . 50.0 108.68 -177.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 54.9 p -102.13 160.68 14.3 Favored 'General case' 0 C--N 1.315 -0.912 0 O-C-N 121.365 -0.835 . . . . 25.0 110.125 173.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 66.0 mtm -58.61 -33.67 70.27 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-N 114.78 -1.1 . . . . 50.0 111.137 177.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -74.05 -35.9 64.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.631 0.729 . . . . 25.0 111.319 -178.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -68.65 -49.23 60.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.088 -0.506 . . . . 50.0 111.763 -178.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.26 -27.36 67.89 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.733 -0.605 . . . . 50.0 110.699 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -67.59 -25.7 65.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.423 -0.353 . . . . 50.0 111.455 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . 0.41 ' HG3' ' HG2' ' A' ' 851' ' ' GLU . 0.0 OUTLIER -73.02 -23.44 60.61 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.855 -0.528 . . . . 50.0 110.001 -179.241 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . 0.41 ' HG2' ' HG3' ' A' ' 850' ' ' ARG . 17.7 mm-40 -83.79 -39.91 19.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.516 -0.766 . . . . 50.0 109.785 -176.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.67 80.44 71.93 Favored Pre-proline 0 C--O 1.22 -0.449 0 CA-C-N 115.706 -0.679 . . . . 50.0 109.598 178.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.48 -32.37 73.17 Favored 'Trans proline' 0 CA--C 1.552 1.376 0 N-CA-C 119.011 2.658 . . . . 25.0 119.011 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -76.28 -168.43 0.56 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 115.041 -2.839 . . . . 50.0 112.972 178.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -50.61 -16.48 0.38 Allowed 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 115.632 1.716 . . . . 50.0 115.632 -178.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -52.59 -39.79 61.95 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.849 -0.532 . . . . 50.0 110.878 176.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.27 -41.59 96.86 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 120.486 0.184 . . . . 25.0 110.812 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -68.14 -39.75 82.61 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.98 0.419 . . . . 50.0 110.056 -177.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -65.9 -29.68 70.15 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.471 -0.566 . . . . 50.0 109.471 176.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 36.4 m -73.0 -43.9 61.63 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 109.093 -0.706 . . . . 50.0 109.093 178.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 20.9 mt -62.64 -38.89 82.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.581 -0.526 . . . . 50.0 109.581 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.62 -6.64 11.76 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.197 0.814 . . . . 25.0 113.197 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -124.17 -34.03 3.0 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 114.593 1.331 . . . . 50.0 114.593 178.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 38.1 ttm -59.93 149.66 31.1 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.586 0.708 . . . . 50.0 112.747 -174.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -75.34 141.12 73.2 Favored Pre-proline 0 N--CA 1.441 -0.881 0 CA-C-N 115.733 -0.667 . . . . 25.0 109.299 -173.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -74.85 150.8 39.49 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 CA-C-O 121.419 0.508 . . . . 50.0 111.242 178.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -105.53 133.78 49.72 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 112.968 0.729 . . . . 50.0 112.968 -178.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 55.0 m -130.87 110.85 11.59 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 106.249 -1.759 . . . . 25.0 106.249 174.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -169.69 -173.24 37.02 Favored Glycine 0 C--N 1.323 -0.151 0 C-N-CA 120.086 -1.054 . . . . 50.0 112.286 -178.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.13 -27.3 24.87 Favored 'Trans proline' 0 C--O 1.218 -0.506 0 CA-C-N 119.048 1.424 . . . . 50.0 114.67 -176.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -94.59 16.19 16.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.228 0.537 . . . . 50.0 110.18 -178.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 54.7 p -70.96 151.37 44.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.82 1.295 . . . . 50.0 114.202 -172.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 4.9 m -142.1 160.18 56.14 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 102.571 -3.122 . . . . 50.0 102.571 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -60.32 -16.21 39.74 Favored 'Trans proline' 0 C--N 1.35 0.606 0 N-CA-C 115.028 1.126 . . . . 50.0 115.028 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -110.75 31.65 7.16 Favored Glycine 0 C--O 1.226 -0.352 0 C-N-CA 121.713 -0.279 . . . . 50.0 113.082 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -92.74 136.38 33.29 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.151 0.5 . . . . 25.0 111.568 -179.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 47.7 mt -134.36 140.11 46.1 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.66 -1.237 . . . . 50.0 107.66 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -88.54 108.52 19.46 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 107.34 -1.356 . . . . 50.0 107.34 178.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -79.74 -32.54 41.1 Favored 'General case' 0 CA--C 1.491 -1.301 0 CA-C-N 115.446 -0.797 . . . . 50.0 109.428 -177.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -29.73 70.6 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.201 -1.037 . . . . 50.0 108.201 -178.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.0 t -86.25 -15.14 41.7 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 114.004 1.113 . . . . 50.0 114.004 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -58.04 -43.29 86.76 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 115.115 1.524 . . . . 50.0 115.115 -174.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 69.8 m -66.05 -17.62 64.81 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.594 0.961 . . . . 50.0 113.594 -178.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 13.8 t -109.3 -6.37 15.54 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 111.871 0.323 . . . . 25.0 111.871 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -153.75 119.72 5.36 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.254 0.55 . . . . 25.0 112.397 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 CA--C 1.511 -0.541 0 N-CA-C 105.467 -2.049 . . . . 50.0 105.467 176.212 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 746' ' ' GLU . . . . . 0.517 ' CD ' ' H ' ' A' ' 746' ' ' GLU . 1.5 mp0 . . . . . 0 CA--C 1.504 -0.789 0 N-CA-C 108.297 -1.001 . . . . 50.0 108.297 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -62.42 1.9 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.776 -1.102 . . . . 50.0 110.921 177.104 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.58 -28.8 48.75 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 121.93 -0.481 . . . . 50.0 111.658 178.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.43 -55.27 22.05 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.273 -0.421 . . . . 50.0 110.907 -178.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -69.33 -31.89 70.63 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.881 -0.414 . . . . 50.0 109.881 -177.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -59.41 -42.42 91.76 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.183 0.516 . . . . 50.0 109.938 176.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 33.1 mtp85 -75.05 -41.2 59.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.487 -0.324 . . . . 50.0 110.381 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -66.87 -39.48 87.55 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.966 0.728 . . . . 25.0 112.966 -177.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 15.9 t -67.68 -43.65 79.67 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 118.353 0.524 . . . . 25.0 110.152 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -40.98 89.3 Favored 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 108.489 -0.93 . . . . 50.0 108.489 177.3 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.29 -30.67 67.73 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.495 0.554 . . . . 50.0 112.495 179.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -68.86 -35.19 76.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.039 -0.413 . . . . 50.0 109.994 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -90.31 -33.19 16.2 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 116.22 -0.445 . . . . 50.0 110.993 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -91.3 70.4 6.09 Favored 'General case' 0 CA--C 1.502 -0.888 0 CA-C-O 122.251 1.024 . . . . 50.0 108.751 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -79.33 -1.8 38.53 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.724 -1.125 . . . . 50.0 110.785 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -89.98 -11.46 41.58 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 106.719 -1.586 . . . . 50.0 106.719 175.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 51.36 38.46 21.72 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.218 -1.355 . . . . 25.0 113.104 178.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 96.6 p -78.08 -20.03 53.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.601 -0.727 . . . . 25.0 111.176 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 95.0 2.46 62.49 Favored Glycine 0 C--O 1.246 0.878 0 N-CA-C 110.192 -1.163 . . . . 50.0 110.192 -178.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.3 p -146.37 165.6 28.83 Favored 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 123.504 0.721 . . . . 25.0 109.377 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 766' ' ' LEU . . . . . 0.451 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 15.9 mt -145.18 174.92 10.66 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 106.506 -1.664 . . . . 50.0 106.506 174.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -85.08 178.65 50.93 Favored Glycine 0 N--CA 1.445 -0.756 0 N-CA-C 109.139 -1.584 . . . . 50.0 109.139 179.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -70.96 -29.48 18.1 Favored 'Trans proline' 0 C--O 1.223 -0.259 0 CA-C-N 117.938 0.869 . . . . 50.0 113.75 -175.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -80.37 -37.52 32.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.541 0.686 . . . . 50.0 109.724 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -66.7 -52.99 38.29 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.77 -0.65 . . . . 50.0 110.481 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 771' ' ' PHE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -59.73 -31.61 69.78 Favored 'General case' 0 C--O 1.211 -0.948 0 C-N-CA 120.29 -0.564 . . . . 50.0 112.195 174.329 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -61.45 -47.83 83.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 119.24 0.927 . . . . 50.0 109.625 177.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.04 -25.95 62.88 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.117 0.484 . . . . 25.0 111.498 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 43.8 t -62.84 -32.12 73.27 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.628 -0.508 . . . . 50.0 109.628 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . 0.4 ' HB3' ' CG ' ' A' ' 780' ' ' TYR . 13.2 mt -72.52 -31.6 65.45 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-O 120.971 0.415 . . . . 75.0 111.645 178.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.1 mt -58.92 -35.77 58.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.072 -0.714 . . . . 50.0 109.072 -177.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 23.2 t -64.15 -17.99 64.01 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 112.352 0.501 . . . . 50.0 112.352 178.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 20.1 mt -94.93 -16.78 22.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.998 0.428 . . . . 50.0 110.596 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 115.83 37.18 1.08 Allowed Glycine 0 C--O 1.224 -0.505 0 CA-C-N 115.497 -0.774 . . . . 50.0 114.288 178.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 780' ' ' TYR . . . . . 0.4 ' CG ' ' HB3' ' A' ' 775' ' ' LEU . 11.3 m-85 -104.65 131.08 52.5 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.401 -0.592 . . . . 50.0 109.401 -179.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -84.05 54.47 2.94 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.849 0.833 . . . . 50.0 110.781 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 38.8 mt . . . . . 0 C--N 1.327 -0.392 0 CA-C-O 121.492 0.663 . . . . 50.0 109.568 -176.151 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.212 -1.276 0 N-CA-C 110.82 -0.912 . . . . 50.0 110.82 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 789' ' ' GLU . . . . . 0.403 ' H ' ' HG2' ' A' ' 789' ' ' GLU . 53.7 mm-40 -59.52 -30.65 68.74 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 118.649 1.224 . . . . 50.0 113.157 179.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -64.79 -36.67 85.07 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 121.078 -0.249 . . . . 25.0 110.932 177.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -90.03 -25.29 20.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.789 0.804 . . . . 50.0 110.071 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.95 -34.32 73.26 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 108.1 -1.074 . . . . 50.0 108.1 178.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.95 -34.2 72.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.04 0.448 . . . . 25.0 111.593 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -83.55 -28.36 28.65 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 109.109 -0.7 . . . . 50.0 109.109 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 41.0 mt -68.59 -48.86 69.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.881 -0.415 . . . . 50.0 109.881 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 19.5 ptt? -61.41 -28.82 69.53 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 121.064 0.459 . . . . 50.0 111.241 -177.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 57.2 m -70.6 -20.38 62.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.446 -0.343 . . . . 25.0 111.912 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 71.7 mt -96.01 -44.66 13.0 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.553 0 CA-C-O 121.028 0.442 . . . . 50.0 111.889 -177.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 33.5 m -79.84 -8.25 11.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 113.487 0.921 . . . . 50.0 113.487 -175.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -139.42 64.02 29.9 Favored Pre-proline 0 C--N 1.321 -0.655 0 N-CA-C 107.988 -1.115 . . . . 50.0 107.988 -178.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -78.77 -17.45 12.36 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 116.433 -1.911 . . . . 50.0 115.022 -172.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . 0.503 ' HB2' ' CD1' ' A' ' 804' ' ' LEU . 0.9 OUTLIER -88.48 -10.09 50.25 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 118.198 0.454 . . . . 50.0 109.858 -176.57 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 81.44 42.78 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.112 0 CA-C-O 124.73 2.205 . . . . 50.0 112.15 173.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 804' ' ' LEU . . . . . 0.812 ' H ' HD22 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -80.34 -23.55 40.48 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 110.465 -3.061 . . . . 75.0 112.096 -176.039 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 79.09 18.68 74.11 Favored Glycine 0 C--O 1.243 0.678 0 CA-C-N 114.25 -1.341 . . . . 50.0 111.673 175.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 15.5 m -143.7 149.71 17.77 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 CA-C-O 121.969 0.89 . . . . 50.0 110.119 -175.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 9.5 t -119.88 126.78 75.65 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.527 -0.761 . . . . 50.0 108.972 -178.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 8.3 t -97.35 159.46 14.91 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.827 -0.624 . . . . 25.0 109.459 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -50.7 -44.01 57.84 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-O 121.469 0.652 . . . . 50.0 111.064 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -20.61 61.09 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 121.518 -0.738 . . . . 50.0 110.287 -174.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -77.59 -41.24 39.41 Favored 'General case' 0 C--O 1.217 -0.625 0 C-N-CA 119.885 -0.726 . . . . 25.0 110.949 -177.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.417 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.1 p90 -68.08 -30.02 69.1 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 119.066 -1.054 . . . . 50.0 110.274 178.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 19.7 mm -64.43 -27.64 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-O 121.579 0.704 . . . . 50.0 110.039 176.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -61.73 -41.33 97.5 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.41 0.624 . . . . 50.0 110.573 -179.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 815' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.0 p90 . . . . . 0 C--O 1.214 -0.796 0 C-N-CA 119.841 -0.744 . . . . 50.0 112.682 178.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.227 0 N-CA-C 109.87 -0.419 . . . . 50.0 109.87 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.58 -36.64 78.99 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 116.193 -0.458 . . . . 25.0 109.797 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 40.8 m -58.88 -41.29 86.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.997 0.427 . . . . 50.0 111.287 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -73.21 -34.76 66.13 Favored 'General case' 0 C--O 1.22 -0.483 0 O-C-N 121.638 -0.664 . . . . 50.0 110.39 178.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -64.12 -18.77 64.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.451 -0.795 . . . . 50.0 112.022 -178.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 68.5 mt -73.85 -49.51 34.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.275 -1.009 . . . . 50.0 108.275 177.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.79 -28.15 26.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.698 0.761 . . . . 50.0 111.575 -171.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -108.58 17.46 21.97 Favored 'General case' 0 C--O 1.206 -1.233 0 CA-C-N 115.701 -0.681 . . . . 25.0 112.231 -177.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -61.69 -26.41 66.78 Favored Glycine 0 C--N 1.316 -0.533 0 N-CA-C 108.346 -1.901 . . . . 50.0 108.346 172.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -70.23 -21.52 63.0 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 176.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -130.51 -178.09 4.63 Favored 'General case' 0 C--O 1.21 -0.988 0 CA-C-N 118.942 0.792 . . . . 50.0 111.023 -177.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -104.45 11.09 34.91 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.932 -0.766 . . . . 50.0 108.932 175.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -157.81 176.98 11.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.315 -0.402 . . . . 50.0 110.252 -176.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -135.7 155.02 35.58 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 N-CA-C 109.02 -0.734 . . . . 75.0 109.02 -177.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 41.0 p -108.41 160.23 16.04 Favored 'General case' 0 C--N 1.313 -1.018 0 O-C-N 121.112 -0.992 . . . . 25.0 109.255 173.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 72.1 mtm -60.44 -35.45 75.85 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.773 -1.103 . . . . 50.0 109.354 175.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -67.41 -30.35 70.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.396 -0.82 . . . . 25.0 112.005 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . 0.499 ' CD ' HH21 ' A' ' 850' ' ' ARG . 47.4 mm-40 -77.5 -55.85 5.03 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.763 -0.375 . . . . 50.0 110.365 177.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.1 pp -63.49 -26.42 68.71 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.397 0.517 . . . . 50.0 112.397 -175.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 36.3 ptt85 -69.76 -13.13 62.13 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 120.22 -0.592 . . . . 50.0 112.496 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . 0.499 HH21 ' CD ' ' A' ' 847' ' ' GLU . 3.2 ptp180 -81.1 -29.17 34.95 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.219 0.533 . . . . 50.0 109.984 -179.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -82.7 -40.83 20.1 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.962 -1.017 . . . . 50.0 110.67 -174.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.75 79.36 56.4 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 108.78 -0.822 . . . . 50.0 108.78 177.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -63.23 -21.76 72.24 Favored 'Trans proline' 0 CA--C 1.553 1.431 0 N-CA-C 119.595 2.883 . . . . 25.0 119.595 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -79.74 -162.66 0.19 Allowed 'Trans proline' 0 C--N 1.363 1.307 1 C-N-CA 113.229 -4.047 . . . . 50.0 111.825 175.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.7 -20.34 0.8 Allowed 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.534 1.309 . . . . 50.0 114.534 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -52.69 -38.24 60.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.008 -0.433 . . . . 50.0 111.791 177.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.11 -43.23 99.03 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-O 120.8 0.333 . . . . 25.0 110.377 178.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -68.54 -41.73 79.45 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.289 0.566 . . . . 50.0 109.559 -176.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -65.08 -26.6 68.3 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.19 -0.459 . . . . 50.0 110.568 176.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 30.8 m -76.44 -44.73 34.47 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.774 -0.454 . . . . 50.0 109.774 177.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 22.6 mt -60.63 -38.64 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 109.487 -0.56 . . . . 50.0 109.487 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.25 -9.88 20.11 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.894 1.072 . . . . 25.0 113.894 178.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -124.1 -24.06 4.45 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 114.214 1.191 . . . . 50.0 114.214 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 2.1 ttm -63.51 144.64 56.82 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.787 -0.449 . . . . 50.0 109.787 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -71.86 144.96 88.69 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 108.235 -1.024 . . . . 25.0 108.235 -176.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -75.22 145.94 31.32 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 CA-C-O 121.475 0.531 . . . . 50.0 111.326 177.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -105.75 128.99 54.04 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 113.184 0.809 . . . . 50.0 113.184 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 4.0 m -135.99 60.43 1.68 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.68 0.752 . . . . 25.0 109.31 177.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -111.39 -168.75 18.68 Favored Glycine 0 CA--C 1.519 0.314 0 CA-C-N 115.574 -0.739 . . . . 50.0 112.695 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -70.16 -28.82 22.85 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 CA-C-N 118.934 1.367 . . . . 50.0 114.88 -178.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -92.64 19.11 7.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.541 0.686 . . . . 50.0 110.186 -178.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 78.6 p -73.76 148.35 42.64 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 122.752 1.263 . . . . 50.0 114.328 -172.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 13.0 m -137.27 162.33 55.89 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 104.714 -2.328 . . . . 50.0 104.714 -177.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -74.78 47.98 1.82 Allowed 'Trans proline' 0 CA--C 1.546 1.112 0 C-N-CA 120.813 1.009 . . . . 50.0 114.291 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -178.44 31.43 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 N-CA-C 108.999 -1.64 . . . . 50.0 108.999 178.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -98.48 139.72 33.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.405 -0.898 . . . . 25.0 111.303 -176.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 45.1 mt -135.45 145.21 46.97 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 106.602 -1.629 . . . . 50.0 106.602 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -93.99 111.14 22.81 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 107.83 -1.174 . . . . 50.0 107.83 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -82.96 -32.35 27.12 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 115.919 -0.582 . . . . 50.0 110.367 -176.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 1.9 mtt -65.78 -31.24 72.1 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 107.834 -1.173 . . . . 50.0 107.834 -178.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.0 t -87.42 -16.56 34.52 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 114.126 1.158 . . . . 50.0 114.126 -178.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -53.53 -43.38 68.32 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.592 0.96 . . . . 50.0 113.592 -174.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 75.2 m -67.01 -17.53 64.96 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.655 0.983 . . . . 50.0 113.655 -178.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 43.5 p -91.63 -27.82 17.89 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.716 -0.393 . . . . 25.0 111.45 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -156.64 118.85 3.94 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.853 1.057 . . . . 25.0 113.853 -178.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 N-CA-C 107.634 -1.247 . . . . 50.0 107.634 173.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 C--O 1.217 -0.629 0 CA-C-O 120.448 0.166 . . . . 50.0 111.289 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 747' ' ' GLN . . . . . 0.412 HE21 ' HA ' ' A' ' 747' ' ' GLN . 0.3 OUTLIER -75.05 -56.07 5.11 Favored 'General case' 0 CA--C 1.502 -0.891 0 N-CA-C 109.242 -0.651 . . . . 50.0 109.242 -178.597 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 25.4 ptp -56.99 -27.0 61.1 Favored 'General case' 0 C--O 1.22 -0.491 0 C-N-CA 119.73 -0.788 . . . . 50.0 110.66 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -61.95 -53.44 55.66 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.152 -0.476 . . . . 50.0 109.806 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -74.54 -33.78 62.81 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 109.088 -0.708 . . . . 50.0 109.088 -175.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -59.0 -47.05 86.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.388 0.613 . . . . 50.0 109.981 176.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -69.78 -39.75 76.45 Favored 'General case' 0 C--O 1.213 -0.833 0 O-C-N 121.702 -0.624 . . . . 50.0 110.047 -178.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -66.78 -38.99 87.63 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-O 118.753 -0.642 . . . . 25.0 112.695 -178.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 69.4 m -71.16 -41.19 70.7 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 118.495 0.589 . . . . 25.0 110.648 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -43.63 85.8 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.776 -1.194 . . . . 50.0 107.776 176.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.31 -33.35 69.6 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 113.111 0.782 . . . . 50.0 113.111 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -64.65 -38.21 90.23 Favored 'General case' 0 CA--C 1.509 -0.622 0 O-C-N 121.618 -0.676 . . . . 50.0 109.557 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -84.31 -39.0 19.7 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 115.747 -0.661 . . . . 50.0 109.478 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -89.13 70.8 8.39 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 123.991 1.853 . . . . 50.0 109.959 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 45.2 mtm180 -74.93 -8.46 56.54 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 113.187 -1.824 . . . . 50.0 111.036 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -92.56 2.3 56.77 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 124.177 0.923 . . . . 50.0 108.719 179.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 21.7 p80 39.01 41.17 0.53 Allowed 'General case' 0 C--O 1.241 0.637 0 N-CA-C 114.766 1.395 . . . . 25.0 114.766 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 58.0 m -76.33 -24.33 54.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 122.258 1.028 . . . . 25.0 110.484 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 94.31 0.62 65.17 Favored Glycine 0 C--O 1.246 0.855 0 N-CA-C 109.881 -1.288 . . . . 50.0 109.881 -177.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -148.0 154.08 39.82 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 123.609 0.764 . . . . 25.0 109.951 -175.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 766' ' ' LEU . . . . . 0.41 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 13.6 mt -138.27 171.62 14.12 Favored 'General case' 0 CA--C 1.507 -0.68 0 N-CA-C 109.207 -0.664 . . . . 50.0 109.207 178.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -78.77 171.04 55.05 Favored Glycine 0 C--O 1.244 0.752 0 N-CA-C 110.835 -0.906 . . . . 50.0 110.835 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -66.7 -31.64 39.61 Favored 'Trans proline' 0 C--O 1.213 -0.735 0 C-N-CA 120.766 0.977 . . . . 50.0 112.351 -176.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -80.9 -37.95 28.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.28 0.562 . . . . 50.0 110.471 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -60.63 -53.53 56.39 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 116.225 -0.443 . . . . 50.0 110.532 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 771' ' ' PHE . . . . . 0.41 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -63.22 -28.43 70.03 Favored 'General case' 0 C--O 1.213 -0.868 0 N-CA-C 113.47 0.915 . . . . 50.0 113.47 174.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -67.46 -44.26 79.06 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 119.295 0.952 . . . . 50.0 110.93 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.44 -25.88 62.5 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.733 0.777 . . . . 25.0 109.893 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 51.5 t -61.75 -34.78 76.44 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.466 -0.568 . . . . 50.0 109.466 177.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 10.8 mt -66.65 -32.08 73.16 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-O 120.903 0.383 . . . . 75.0 110.834 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 57.9 mt -59.16 -33.71 51.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 N-CA-C 109.523 -0.547 . . . . 50.0 109.523 -176.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 76.5 p -62.97 -19.95 64.8 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 122.088 -0.383 . . . . 50.0 111.862 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 12.9 mt -93.81 -15.18 25.36 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.388 0.675 . . . . 50.0 111.054 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 117.5 24.7 3.37 Favored Glycine 0 C--O 1.218 -0.868 0 N-CA-C 115.624 1.01 . . . . 50.0 115.624 177.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -93.66 140.31 29.79 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.794 -0.817 . . . . 50.0 108.794 -178.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -94.11 42.45 1.1 Allowed 'General case' 0 N--CA 1.476 0.852 0 CA-C-O 122.585 1.183 . . . . 50.0 110.808 178.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 58.5 mt . . . . . 0 CA--C 1.539 0.542 0 N-CA-C 107.951 -1.129 . . . . 50.0 107.951 -178.261 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.208 -1.5 0 N-CA-C 109.31 -1.516 . . . . 50.0 109.31 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.38 -35.49 79.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.652 -0.91 . . . . 50.0 111.156 177.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -65.42 -32.01 73.41 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.68 0.622 . . . . 25.0 112.68 -178.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -93.36 -21.15 19.72 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 121.76 0.791 . . . . 50.0 110.566 177.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -73.82 -34.63 64.65 Favored 'General case' 0 C--N 1.313 -0.982 0 O-C-N 121.069 -1.019 . . . . 50.0 108.854 176.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -58.63 -32.73 69.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.612 0.72 . . . . 25.0 111.357 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -85.22 -28.17 25.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.475 -0.766 . . . . 50.0 109.992 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 35.5 mt -67.43 -47.29 81.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 O-C-N 123.235 0.334 . . . . 50.0 110.343 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 24.0 ptm -61.03 -26.46 67.63 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.986 -0.446 . . . . 50.0 111.728 -178.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 59.4 m -74.21 -17.74 60.85 Favored 'General case' 0 C--O 1.214 -0.806 0 N-CA-C 111.707 0.262 . . . . 25.0 111.707 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 83.3 mt -94.99 -44.99 13.39 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.532 0 CA-C-O 122.576 1.179 . . . . 50.0 110.573 -177.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 26.2 m -77.42 -16.28 14.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 114.73 -1.123 . . . . 50.0 112.082 -177.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -152.84 64.83 5.49 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.029 0.831 . . . . 50.0 112.465 -175.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -71.45 -12.85 29.98 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 118.33 -0.647 . . . . 50.0 112.563 178.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.77 -12.94 58.35 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 122.997 0.519 . . . . 50.0 109.827 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 61.0 45.85 8.94 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 121.732 0.777 . . . . 50.0 110.775 179.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 85.7 mt -70.53 -23.68 62.68 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 113.978 -1.464 . . . . 50.0 109.291 176.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 86.03 16.46 63.02 Favored Glycine 0 CA--C 1.508 -0.38 0 CA-C-N 114.681 -1.145 . . . . 50.0 111.526 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 9.5 m -145.75 154.84 13.12 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 N-CA-C 109.978 -0.379 . . . . 50.0 109.978 -176.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 16.6 t -127.62 132.94 68.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.057 -0.72 . . . . 50.0 109.057 -179.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.16 161.85 14.1 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.976 -0.379 . . . . 25.0 109.976 178.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -52.78 -43.25 65.73 Favored 'General case' 0 C--O 1.204 -1.332 0 CA-C-O 121.496 0.665 . . . . 50.0 109.925 178.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -20.24 59.87 Favored 'General case' 0 C--N 1.314 -0.946 0 O-C-N 121.662 -0.649 . . . . 50.0 110.281 -172.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -76.4 -42.59 43.79 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 119.945 -0.702 . . . . 25.0 110.994 -177.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.409 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.1 p90 -67.49 -29.53 68.98 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 119.005 -1.078 . . . . 50.0 110.051 178.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 19.9 mm -65.04 -25.56 37.93 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.618 0 O-C-N 121.516 -0.74 . . . . 50.0 110.705 176.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.01 -40.3 96.05 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.101 -0.999 . . . . 50.0 109.867 -178.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 815' ' ' PHE . . . . . 0.409 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 4.7 p90 . . . . . 0 CA--C 1.5 -0.977 0 C-N-CA 119.411 -0.916 . . . . 50.0 112.442 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 10.1 ttm . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.75 0.31 . . . . 50.0 110.319 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.1 -36.92 75.98 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.658 -0.867 . . . . 25.0 108.658 178.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 23.9 m -65.54 -45.29 84.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.491 0.662 . . . . 50.0 111.503 -178.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -63.71 -42.14 98.0 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.834 -0.541 . . . . 50.0 109.985 177.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -58.25 -27.49 64.03 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 113.962 1.097 . . . . 50.0 113.962 -176.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 42.3 mt -74.56 -42.23 48.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.532 -0.914 . . . . 50.0 108.532 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.54 -28.07 22.21 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 114.49 1.292 . . . . 50.0 114.49 -174.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -69.53 -44.09 71.7 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 107.809 -1.182 . . . . 25.0 107.809 -177.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 25.39 -83.7 0.0 OUTLIER Glycine 0 N--CA 1.443 -0.882 0 N-CA-C 118.586 2.194 . . . . 50.0 118.586 -175.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.11 -8.85 57.64 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 113.928 1.085 . . . . 25.0 113.928 -175.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -110.5 139.75 45.43 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 106.853 -1.536 . . . . 50.0 106.853 176.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -80.97 10.41 5.16 Favored 'General case' 0 C--N 1.319 -0.761 0 O-C-N 121.902 -0.499 . . . . 50.0 111.514 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -150.07 174.13 13.09 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 109.329 -0.619 . . . . 50.0 109.329 -176.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 1.4 tp -128.74 152.46 36.93 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 N-CA-C 107.724 -1.214 . . . . 50.0 107.724 -175.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 66.9 p -106.81 158.76 16.75 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 120.46 -1.4 . . . . 25.0 107.691 174.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 76.2 mtm -57.47 -37.87 73.58 Favored 'General case' 0 C--O 1.21 -0.996 0 N-CA-C 109.707 -0.479 . . . . 50.0 109.707 176.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -62.58 -46.24 89.21 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.621 0.724 . . . . 25.0 112.577 -178.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.75 -47.71 65.59 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.057 -0.974 . . . . 50.0 111.012 -177.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.8 pp -66.67 -22.71 66.09 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 119.458 -0.897 . . . . 50.0 110.759 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -72.24 -12.73 61.29 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 113.193 0.812 . . . . 50.0 113.193 177.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -77.71 -25.15 49.15 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 121.503 0.668 . . . . 50.0 109.466 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -86.01 -40.46 15.78 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.198 -0.91 . . . . 50.0 109.793 -176.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.47 79.25 74.24 Favored Pre-proline 0 N--CA 1.45 -0.436 0 CA-C-N 116.569 -0.287 . . . . 50.0 110.55 -178.512 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.73 -31.07 69.9 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 N-CA-C 118.649 2.519 . . . . 25.0 118.649 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -76.42 -170.26 0.85 Allowed 'Trans proline' 0 C--N 1.363 1.32 0 C-N-CA 113.83 -3.647 . . . . 50.0 112.345 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -51.19 -16.0 0.44 Allowed 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.623 1.342 . . . . 50.0 114.623 -179.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -50.46 -40.31 50.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 118.972 0.806 . . . . 50.0 110.729 173.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -67.84 -39.52 83.84 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-O 120.732 0.301 . . . . 25.0 110.701 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -64.56 -42.05 95.92 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.624 -0.51 . . . . 50.0 109.624 -179.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -66.99 -31.63 72.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.083 -0.508 . . . . 50.0 109.669 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 35.8 m -67.84 -47.67 68.33 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 108.112 -1.07 . . . . 50.0 108.112 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 24.9 mt -61.6 -38.38 80.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-O 121.232 0.539 . . . . 50.0 110.345 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -67.83 -7.99 32.47 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.002 1.112 . . . . 25.0 114.002 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -117.74 -27.81 6.15 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.521 -0.737 . . . . 50.0 112.194 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 864' ' ' MET . . . . . 0.406 ' HG3' ' HB2' ' A' ' 882' ' ' PHE . 16.1 ttm -66.42 142.65 57.52 Favored 'General case' 0 C--O 1.205 -1.27 0 N-CA-C 113.721 1.008 . . . . 50.0 113.721 -173.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -70.77 141.41 87.27 Favored Pre-proline 0 C--N 1.314 -0.953 0 CA-C-N 116.232 -0.44 . . . . 25.0 109.956 -177.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -74.4 148.21 37.87 Favored 'Trans proline' 0 C--O 1.223 -0.245 0 CA-C-O 121.618 0.591 . . . . 50.0 113.276 177.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -110.49 126.95 54.9 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.346 0.869 . . . . 50.0 113.346 -177.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 77.3 p -128.11 46.17 2.62 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 120.918 0.39 . . . . 25.0 110.493 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -93.01 -168.3 39.19 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 121.146 -0.55 . . . . 50.0 113.622 -175.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -70.02 -26.32 26.47 Favored 'Trans proline' 0 C--O 1.214 -0.695 0 C-N-CA 121.559 1.506 . . . . 50.0 115.613 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -107.4 33.79 3.84 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 107.317 -1.364 . . . . 50.0 107.317 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 25.7 p -78.17 146.96 34.73 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 122.132 0.968 . . . . 50.0 112.634 -175.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 18.0 m -131.42 164.09 44.95 Favored Pre-proline 0 C--N 1.318 -0.762 0 N-CA-C 105.711 -1.959 . . . . 50.0 105.711 178.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -57.82 -18.09 32.79 Favored 'Trans proline' 0 CA--C 1.536 0.583 0 N-CA-C 115.622 1.355 . . . . 50.0 115.622 -176.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -117.27 35.96 3.91 Favored Glycine 0 C--O 1.223 -0.593 0 CA-C-O 121.191 0.328 . . . . 50.0 112.973 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -90.84 137.55 32.27 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 112.953 0.723 . . . . 25.0 112.953 -178.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 44.1 mt -136.69 140.03 42.39 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.3 -1.0 . . . . 50.0 108.3 -177.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -90.32 103.14 15.85 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 122.613 1.197 . . . . 50.0 108.639 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -75.69 -30.72 59.43 Favored 'General case' 0 C--O 1.198 -1.633 0 CA-C-N 114.931 -1.031 . . . . 50.0 109.857 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 2.9 mmm -67.8 -30.46 69.89 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 108.317 -0.994 . . . . 50.0 108.317 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 2.5 t -90.29 -12.25 38.4 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.312 1.054 . . . . 50.0 113.818 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . 0.406 ' HB2' ' HG3' ' A' ' 864' ' ' MET . 1.9 t80 -60.52 -50.6 72.92 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 114.311 1.226 . . . . 50.0 114.311 -173.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 28.5 m -66.95 -16.73 64.53 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.254 0.835 . . . . 50.0 113.254 -178.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 68.8 p -99.35 -10.68 21.99 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.884 0.698 . . . . 25.0 112.884 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -152.29 79.53 1.24 Allowed 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.313 0.578 . . . . 25.0 110.93 -177.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 5.3 mp . . . . . 0 C--N 1.324 -0.513 0 N-CA-C 107.264 -1.384 . . . . 50.0 107.264 176.81 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 119.869 -0.11 . . . . 50.0 110.961 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.59 -57.34 4.21 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 121.239 0.543 . . . . 50.0 109.56 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 24.2 ptp -57.11 -25.97 59.69 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 120.15 -0.62 . . . . 50.0 110.925 178.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -56.22 20.92 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.203 -0.453 . . . . 50.0 109.982 179.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -71.67 -32.36 67.79 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 110.025 -0.361 . . . . 50.0 110.025 -177.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -58.63 -48.47 80.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.37 0.605 . . . . 50.0 109.765 175.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -66.67 -42.86 85.92 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 116.122 -0.49 . . . . 50.0 110.336 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.37 -40.02 93.0 Favored 'General case' 0 C--O 1.212 -0.889 0 C-N-CA 120.994 -0.282 . . . . 25.0 111.25 -177.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 47.5 m -66.22 -44.23 84.42 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 117.904 0.32 . . . . 25.0 110.801 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -40.68 96.47 Favored 'General case' 0 C--O 1.208 -1.107 0 N-CA-C 108.906 -0.775 . . . . 50.0 108.906 177.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.69 -34.74 76.17 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 112.642 0.608 . . . . 50.0 112.642 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -67.11 -36.76 82.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.841 0.829 . . . . 50.0 110.126 -178.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -84.58 -35.12 22.98 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 115.776 -0.647 . . . . 50.0 110.07 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -91.48 71.05 5.97 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 122.958 1.361 . . . . 50.0 109.148 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 46.4 mtm-85 -69.85 -9.58 55.34 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 113.481 -1.691 . . . . 50.0 110.51 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -92.95 -4.66 52.33 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.4 0.619 . . . . 50.0 109.628 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 20.4 p80 42.41 38.43 1.21 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.029 1.332 . . . . 25.0 113.566 -175.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 42.1 t -70.08 -25.25 63.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.982 0.896 . . . . 25.0 109.922 178.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 94.2 1.18 64.97 Favored Glycine 0 N--CA 1.451 -0.3 0 N-CA-C 109.015 -1.634 . . . . 50.0 109.015 -178.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 2.1 p -145.11 155.26 43.21 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 123.464 0.705 . . . . 25.0 110.096 -176.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 766' ' ' LEU . . . . . 0.482 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 14.5 mt -140.02 169.5 17.59 Favored 'General case' 0 CA--C 1.503 -0.857 0 N-CA-C 108.93 -0.767 . . . . 50.0 108.93 176.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -75.5 171.14 54.34 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.018 -0.833 . . . . 50.0 111.018 -178.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -64.63 -36.73 40.62 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 CA-C-N 118.398 1.099 . . . . 50.0 112.852 -177.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -78.7 -34.4 46.1 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.003 0.43 . . . . 50.0 111.257 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -62.65 -56.24 19.56 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.531 -0.544 . . . . 50.0 109.531 178.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 771' ' ' PHE . . . . . 0.482 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -59.51 -32.84 70.66 Favored 'General case' 0 C--O 1.217 -0.639 0 N-CA-C 112.984 0.735 . . . . 50.0 112.984 174.724 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -60.76 -47.85 84.43 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 119.137 0.88 . . . . 75.0 109.765 176.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.04 -24.58 62.37 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.67 0.748 . . . . 25.0 111.431 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 50.7 t -64.23 -34.62 78.51 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.736 -0.838 . . . . 50.0 108.736 176.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 9.4 mt -67.95 -34.26 76.23 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 121.822 -0.549 . . . . 75.0 109.728 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 57.3 mt -60.23 -31.49 48.37 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 CA-C-O 121.336 0.589 . . . . 50.0 110.085 -177.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 15.7 m -62.65 -21.13 65.47 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.435 0.531 . . . . 50.0 112.435 178.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 16.0 mt -94.6 -17.11 22.64 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 115.611 -0.722 . . . . 50.0 110.775 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 116.64 29.55 2.23 Favored Glycine 0 C--O 1.225 -0.424 0 CA-C-N 115.226 -0.897 . . . . 50.0 114.955 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -95.29 141.57 28.71 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.133 -1.432 . . . . 50.0 107.133 -178.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -96.59 39.63 1.16 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.15 0.976 . . . . 50.0 108.793 177.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 58.9 mt . . . . . 0 CA--C 1.51 -0.564 0 N-CA-C 106.913 -1.514 . . . . 50.0 106.913 -177.268 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.203 -1.791 0 N-CA-C 108.737 -1.745 . . . . 50.0 108.737 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.21 -37.4 74.75 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 117.148 0.474 . . . . 50.0 111.155 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -61.78 -37.37 84.07 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.098 0.407 . . . . 25.0 112.098 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -91.3 -25.24 19.54 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.344 0.592 . . . . 50.0 110.51 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.5 -34.17 77.32 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.881 -1.155 . . . . 50.0 107.881 177.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -60.4 -27.05 67.14 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 121.516 0.674 . . . . 25.0 110.79 177.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -80.34 -43.58 20.93 Favored 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 108.389 -0.967 . . . . 50.0 108.389 178.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 65.2 mt -59.43 -49.59 83.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 113.956 -1.474 . . . . 50.0 110.376 -176.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 23.4 ptm -59.95 -29.21 68.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.845 0.355 . . . . 50.0 111.363 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 42.6 m -76.44 -16.84 59.59 Favored 'General case' 0 C--N 1.32 -0.699 0 O-C-N 122.203 -0.311 . . . . 25.0 111.788 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 68.4 mt -98.01 -47.73 12.37 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.699 0 CA-C-O 120.994 0.426 . . . . 50.0 110.048 -177.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 29.2 m -74.56 -16.04 16.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.271 -0.422 . . . . 50.0 111.82 -178.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -147.36 64.67 8.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 114.525 1.306 . . . . 50.0 114.525 -176.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -75.74 -4.63 15.48 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 117.342 -1.305 . . . . 50.0 111.078 175.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.39 -14.32 38.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.754 -0.657 . . . . 50.0 111.545 -177.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 61.01 49.79 5.5 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 122.082 0.944 . . . . 50.0 110.91 -176.068 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 67.6 mt -70.53 -26.89 63.78 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 105.883 -1.895 . . . . 50.0 105.883 173.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 83.55 15.71 70.39 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 109.26 -1.536 . . . . 50.0 109.26 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 11.4 m -155.34 163.8 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.609 0 N-CA-C 108.455 -0.943 . . . . 50.0 108.455 -172.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 13.4 t -126.97 131.78 70.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.511 -0.768 . . . . 50.0 109.631 -178.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.31 159.09 15.17 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 108.541 -0.911 . . . . 25.0 108.541 178.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -51.86 -43.13 63.12 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.649 -0.705 . . . . 50.0 110.431 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -22.03 60.8 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 121.52 -0.737 . . . . 50.0 110.499 -175.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -77.13 -40.9 43.97 Favored 'General case' 0 C--O 1.216 -0.707 0 C-N-CA 119.885 -0.726 . . . . 25.0 111.618 -176.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.412 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.0 OUTLIER -68.29 -31.38 70.79 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.122 -0.986 . . . . 50.0 109.529 177.088 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 13.7 mm -63.95 -29.12 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 109.258 -0.645 . . . . 50.0 109.258 177.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -60.69 -46.09 91.69 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 109.838 -0.43 . . . . 50.0 109.838 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 815' ' ' PHE . . . . . 0.412 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 4.3 p90 . . . . . 0 CA--C 1.512 -0.497 0 C-N-CA 119.251 -0.98 . . . . 50.0 111.068 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 C--O 1.241 0.629 0 N-CA-C 109.255 -0.646 . . . . 50.0 109.255 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.45 93.61 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.894 -0.594 . . . . 25.0 110.349 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 47.6 m -64.32 -39.36 93.75 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.494 0.553 . . . . 50.0 112.494 -178.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -64.32 -35.41 80.78 Favored 'General case' 0 C--O 1.214 -0.79 0 O-C-N 121.332 -0.855 . . . . 50.0 110.231 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -64.64 -25.04 67.78 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.362 -0.535 . . . . 50.0 111.772 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 66.5 mt -79.87 -45.18 23.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 108.606 -0.887 . . . . 50.0 108.606 -178.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.49 -23.11 32.32 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 119.676 -0.81 . . . . 50.0 111.985 -173.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -107.8 17.56 22.38 Favored 'General case' 0 C--O 1.209 -1.064 0 O-C-N 122.258 -0.276 . . . . 25.0 111.669 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -65.74 -24.46 71.3 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 107.845 -2.102 . . . . 50.0 107.845 171.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -69.96 -19.55 63.35 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.43 0.529 . . . . 25.0 112.43 176.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -131.28 -166.03 1.65 Allowed 'General case' 0 C--O 1.214 -0.796 0 O-C-N 121.692 -0.63 . . . . 50.0 109.693 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -117.17 13.08 14.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.558 -0.714 . . . . 50.0 109.846 174.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -160.95 178.73 9.1 Favored 'General case' 0 CA--C 1.511 -0.551 0 N-CA-C 108.744 -0.836 . . . . 50.0 108.744 -177.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -134.97 152.96 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 N-CA-C 109.001 -0.74 . . . . 50.0 109.001 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 41.8 p -105.03 159.06 16.12 Favored 'General case' 0 CA--C 1.495 -1.135 0 N-CA-C 107.815 -1.18 . . . . 25.0 107.815 174.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 72.7 mtm -58.34 -33.4 69.49 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.31 -0.859 . . . . 50.0 110.351 175.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -71.87 -32.49 67.52 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.481 -0.781 . . . . 25.0 111.084 -178.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -76.49 -49.73 15.79 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 120.694 0.283 . . . . 50.0 110.582 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.0 pp -65.77 -26.93 67.94 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.498 -0.881 . . . . 50.0 112.177 -176.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 24.2 ptt85 -71.53 -11.59 60.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.573 -0.704 . . . . 50.0 112.014 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -73.14 -27.12 61.49 Favored 'General case' 0 CA--C 1.513 -0.45 0 O-C-N 121.633 -0.667 . . . . 50.0 109.218 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -83.37 -43.05 16.34 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 114.77 -1.104 . . . . 50.0 110.135 -177.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.8 80.73 71.56 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.347 -0.842 . . . . 50.0 109.191 -178.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -63.63 -23.71 69.94 Favored 'Trans proline' 0 CA--C 1.556 1.583 0 N-CA-C 119.583 2.878 . . . . 25.0 119.583 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -79.38 -165.42 0.34 Allowed 'Trans proline' 0 C--N 1.365 1.413 0 C-N-CA 113.738 -3.708 . . . . 50.0 111.731 176.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -49.67 -17.54 0.34 Allowed 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 114.598 1.333 . . . . 50.0 114.598 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -53.05 -39.06 62.97 Favored 'General case' 0 C--O 1.219 -0.51 0 O-C-N 121.853 -0.529 . . . . 50.0 110.833 176.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -61.32 -42.74 99.17 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 122.348 -0.22 . . . . 25.0 111.195 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -67.17 -39.97 86.52 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.246 0.546 . . . . 50.0 110.089 -177.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -65.15 -30.95 71.91 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.005 -0.739 . . . . 50.0 109.005 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 57.2 m -73.96 -42.5 60.42 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 116.366 -0.379 . . . . 50.0 110.343 178.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 22.7 mt -62.84 -40.27 88.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.303 -0.629 . . . . 50.0 109.303 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -62.49 -28.17 69.65 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 121.041 0.448 . . . . 25.0 111.389 178.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . 0.403 ' HB3' ' CE1' ' A' ' 882' ' ' PHE . 4.3 mpt_? -93.05 -20.91 20.08 Favored 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 112.365 0.506 . . . . 50.0 112.365 -178.474 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 3.5 ttm -74.2 167.3 21.87 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 113.708 1.003 . . . . 50.0 113.708 -175.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -99.94 143.57 26.73 Favored Pre-proline 0 C--O 1.217 -0.639 0 N-CA-C 107.828 -1.175 . . . . 25.0 107.828 -178.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -75.21 152.38 39.72 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 CA-C-N 118.686 0.566 . . . . 50.0 113.352 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -119.35 125.37 48.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.769 -0.65 . . . . 50.0 112.394 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 72.8 p -128.23 42.21 3.36 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 109.555 -0.535 . . . . 25.0 109.555 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -85.16 -166.55 41.98 Favored Glycine 0 CA--C 1.524 0.636 0 CA-C-O 119.609 -0.55 . . . . 50.0 113.891 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -69.95 -30.61 21.12 Favored 'Trans proline' 0 N--CA 1.475 0.441 0 CA-C-N 118.971 1.386 . . . . 50.0 114.641 -177.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -97.29 23.46 7.47 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 108.889 -0.782 . . . . 50.0 108.889 -177.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 87.7 p -75.0 151.56 38.77 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 122.758 1.266 . . . . 50.0 113.59 -172.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 12.1 m -137.38 162.47 54.92 Favored Pre-proline 0 C--N 1.319 -0.745 0 N-CA-C 103.054 -2.943 . . . . 50.0 103.054 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.07 -23.98 63.63 Favored 'Trans proline' 0 C--N 1.349 0.588 0 N-CA-C 114.994 1.113 . . . . 50.0 114.994 -178.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -106.6 34.19 5.91 Favored Glycine 0 CA--C 1.51 -0.251 0 C-N-CA 121.748 -0.263 . . . . 50.0 113.475 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -92.5 137.49 32.32 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.423 0.63 . . . . 25.0 111.15 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 49.8 mt -135.56 138.36 42.93 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.895 -1.15 . . . . 50.0 107.895 -179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -87.24 102.09 14.15 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 106.91 -1.515 . . . . 50.0 106.91 178.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -73.23 -33.58 65.41 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.255 -0.884 . . . . 50.0 109.439 -178.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 14.1 ttp -67.99 -22.93 64.98 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.624 -0.716 . . . . 50.0 109.321 -176.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 4.3 t -86.18 -24.17 26.24 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.357 -0.838 . . . . 50.0 112.771 177.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . 0.403 ' CE1' ' HB3' ' A' ' 863' ' ' ARG . 7.2 t80 -56.04 -43.41 77.81 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.315 0.578 . . . . 50.0 111.679 -179.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.09 -23.19 4.96 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 114.945 1.461 . . . . 50.0 114.945 176.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 15.3 t -117.06 -3.43 11.56 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.721 1.008 . . . . 25.0 113.721 178.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -154.2 127.61 8.55 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 122.022 -0.424 . . . . 25.0 111.88 -177.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.6 pt? . . . . . 0 C--N 1.324 -0.539 0 N-CA-C 108.041 -1.096 . . . . 50.0 108.041 179.361 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 15.9 pm0 . . . . . 0 N--CA 1.448 -0.542 0 N-CA-C 111.349 0.129 . . . . 50.0 111.349 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.69 -57.65 3.75 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-O 121.296 0.57 . . . . 50.0 110.676 178.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 23.8 ptp -55.03 -27.15 42.3 Favored 'General case' 0 C--O 1.212 -0.89 0 C-N-CA 120.675 -0.41 . . . . 50.0 110.611 177.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.49 -56.35 22.48 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.098 179.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -69.35 -30.53 68.57 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.84 -0.43 . . . . 50.0 109.84 -177.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -63.93 -48.75 75.33 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.319 0.581 . . . . 50.0 111.683 174.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -66.52 -39.24 88.52 Favored 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 121.817 -0.552 . . . . 50.0 109.727 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.18 -39.12 78.9 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.62 0.6 . . . . 25.0 112.62 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 12.1 p -67.02 -43.35 83.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 118.51 0.596 . . . . 25.0 110.825 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -40.98 92.65 Favored 'General case' 0 C--O 1.211 -0.949 0 N-CA-C 108.673 -0.862 . . . . 50.0 108.673 177.073 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.48 -30.83 67.74 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.65 0.611 . . . . 50.0 112.65 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -69.44 -34.6 74.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.01 0.434 . . . . 50.0 109.867 -178.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -88.25 -36.87 16.48 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.939 -0.573 . . . . 50.0 110.049 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -91.3 70.64 6.11 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 122.568 1.175 . . . . 50.0 108.756 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -79.89 -0.35 34.54 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.074 -1.421 . . . . 50.0 110.704 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -92.74 -11.46 33.83 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.262 -1.385 . . . . 50.0 107.262 176.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 53.83 37.74 27.09 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 114.333 -1.303 . . . . 25.0 112.484 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 43.3 t -70.18 -28.16 65.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.933 -1.031 . . . . 25.0 110.349 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 94.21 1.85 64.49 Favored Glycine 0 C--O 1.24 0.486 0 N-CA-C 109.456 -1.457 . . . . 50.0 109.456 -178.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -150.27 151.63 33.27 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 108.895 -0.78 . . . . 25.0 108.895 -175.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 766' ' ' LEU . . . . . 0.451 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 20.6 mt -134.9 174.34 10.71 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 107.105 -1.442 . . . . 50.0 107.105 176.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -85.46 179.4 50.49 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.141 -1.184 . . . . 50.0 110.141 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.29 -29.7 20.93 Favored 'Trans proline' 0 C--O 1.222 -0.28 0 C-N-CA 121.095 1.197 . . . . 50.0 113.593 -175.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.05 -40.32 31.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.787 0.803 . . . . 50.0 109.414 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -66.41 -53.76 32.05 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.455 -0.793 . . . . 50.0 110.914 -177.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 771' ' ' PHE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.4 OUTLIER -59.09 -31.69 69.13 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 112.636 0.606 . . . . 50.0 112.636 174.188 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -63.76 -46.4 85.46 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.864 0.756 . . . . 50.0 109.967 177.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -72.19 -24.52 61.43 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.408 0.623 . . . . 25.0 111.235 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 46.9 t -64.0 -34.34 77.78 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.972 -0.751 . . . . 50.0 108.972 176.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.52 -33.79 75.78 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-O 121.23 0.538 . . . . 75.0 109.645 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 60.8 mt -59.5 -32.66 49.39 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 O-C-N 121.933 -0.479 . . . . 50.0 110.048 -178.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.84 -16.72 59.66 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.594 0.59 . . . . 50.0 112.594 177.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 16.9 mt -97.46 -20.76 17.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.339 -0.391 . . . . 50.0 110.744 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 121.02 32.21 1.1 Allowed Glycine 0 C--O 1.221 -0.672 0 CA-C-N 115.874 -0.603 . . . . 50.0 114.503 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -98.45 143.84 28.45 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 106.261 -1.755 . . . . 50.0 106.261 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -99.5 33.63 2.43 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 122.226 1.012 . . . . 50.0 110.634 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 72.5 mt . . . . . 0 C--N 1.324 -0.524 0 N-CA-C 105.589 -2.004 . . . . 50.0 105.589 -178.426 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -1.339 0 N-CA-C 109.124 -1.591 . . . . 50.0 109.124 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.9 -33.79 69.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 118.064 0.932 . . . . 50.0 112.129 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -64.68 -35.16 80.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.475 -0.33 . . . . 25.0 111.295 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 791' ' ' GLU . . . . . 0.431 ' HB2' ' HE ' ' A' ' 794' ' ' ARG . 14.7 pt-20 -95.63 -17.64 21.18 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 121.889 0.852 . . . . 50.0 111.527 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.7 -32.74 68.13 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 106.733 -1.58 . . . . 50.0 106.733 174.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.52 -33.74 71.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.987 -0.551 . . . . 25.0 111.889 178.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 794' ' ' ARG . . . . . 0.431 ' HE ' ' HB2' ' A' ' 791' ' ' GLU . 23.1 ptt85 -82.7 -28.97 30.2 Favored 'General case' 0 C--O 1.215 -0.724 0 N-CA-C 108.645 -0.872 . . . . 50.0 108.645 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 42.3 mt -68.26 -51.48 47.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.852 -0.425 . . . . 50.0 109.852 -178.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 18.6 ptt? -59.68 -29.41 68.06 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-O 120.853 0.359 . . . . 50.0 111.287 -178.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 50.7 m -72.08 -20.25 61.68 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.175 0.435 . . . . 25.0 112.175 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 66.4 mt -95.43 -47.14 13.18 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.62 0 CA-C-O 121.221 0.534 . . . . 50.0 110.813 -176.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 31.7 m -76.33 -14.04 14.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.929 -0.578 . . . . 50.0 111.735 -176.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -153.8 68.74 6.28 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-O 121.75 0.786 . . . . 50.0 111.033 -176.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -72.05 -7.67 21.47 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 118.157 -0.762 . . . . 50.0 112.621 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -91.48 -10.16 41.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.366 -0.379 . . . . 50.0 110.874 -178.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 58.57 49.02 11.05 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.796 0.808 . . . . 50.0 110.585 -177.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 85.4 mt -71.76 -26.19 62.35 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.573 -1.194 . . . . 50.0 107.938 175.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 89.51 19.42 48.99 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.225 -0.898 . . . . 50.0 111.801 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 14.8 m -144.64 153.45 14.81 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 CA-C-O 121.198 0.523 . . . . 50.0 110.62 -176.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 12.5 t -131.41 131.48 63.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.486 -0.779 . . . . 50.0 109.703 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -96.95 160.74 14.18 Favored 'General case' 0 CA--C 1.503 -0.85 0 N-CA-C 109.22 -0.659 . . . . 25.0 109.22 178.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -53.84 -42.06 68.07 Favored 'General case' 0 C--O 1.213 -0.822 0 CA-C-N 115.309 -0.86 . . . . 50.0 110.005 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -22.3 59.32 Favored 'General case' 0 C--N 1.318 -0.791 0 O-C-N 121.602 -0.686 . . . . 50.0 109.646 -174.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -75.47 -42.89 52.0 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 119.968 -0.693 . . . . 25.0 111.027 -177.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.439 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.0 OUTLIER -66.26 -30.59 71.05 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 119.272 -0.971 . . . . 50.0 110.288 178.214 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 18.8 mm -63.82 -26.97 41.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.336 0.588 . . . . 50.0 110.548 177.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.06 -43.74 94.56 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 119.446 -0.902 . . . . 50.0 110.627 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 815' ' ' PHE . . . . . 0.439 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.2 p90 . . . . . 0 CA--C 1.505 -0.777 0 C-N-CA 119.256 -0.978 . . . . 50.0 111.38 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.377 0 N-CA-C 109.892 -0.41 . . . . 50.0 109.892 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.96 83.95 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.603 -0.518 . . . . 25.0 109.603 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 9.6 m -62.86 -41.14 99.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.061 0.458 . . . . 50.0 111.351 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -69.14 -33.97 74.27 Favored 'General case' 0 C--O 1.22 -0.454 0 O-C-N 121.719 -0.613 . . . . 50.0 110.014 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -63.04 -21.59 66.27 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-O 120.852 0.358 . . . . 50.0 111.054 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 83.2 mt -72.81 -46.03 54.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.13 -1.063 . . . . 50.0 108.13 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.74 -29.43 25.52 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.522 0.677 . . . . 50.0 111.624 -173.317 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -108.66 17.46 21.92 Favored 'General case' 0 C--O 1.206 -1.213 0 CA-C-N 115.359 -0.837 . . . . 25.0 112.893 -177.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -62.47 -25.18 66.69 Favored Glycine 0 C--N 1.318 -0.442 0 N-CA-C 108.023 -2.031 . . . . 50.0 108.023 171.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -74.0 -18.82 60.81 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.673 0.62 . . . . 25.0 112.673 177.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -130.14 179.93 5.6 Favored 'General case' 0 C--O 1.21 -0.988 0 CA-C-N 119.074 0.852 . . . . 50.0 111.645 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -104.1 11.67 34.9 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.679 -0.638 . . . . 50.0 109.323 175.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . 0.41 ' HB3' ' CE2' ' A' ' 867' ' ' TYR . 5.9 p90 -160.33 178.21 9.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.337 -0.392 . . . . 50.0 110.421 -176.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.04 157.1 35.3 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.861 0 N-CA-C 108.411 -0.959 . . . . 50.0 108.411 -177.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 41.8 p -106.8 161.79 14.36 Favored 'General case' 0 CA--C 1.501 -0.933 0 O-C-N 120.994 -1.066 . . . . 25.0 109.222 173.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 13.7 mtm -55.87 -40.32 72.75 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.839 -1.073 . . . . 50.0 109.784 176.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -71.21 -34.31 70.72 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.456 -0.793 . . . . 25.0 112.912 -177.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -70.15 -45.91 65.81 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.749 0.309 . . . . 50.0 110.859 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.7 pp -67.93 -26.46 65.98 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.833 -0.542 . . . . 50.0 110.521 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -66.55 -12.24 56.74 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.235 0.457 . . . . 50.0 112.235 177.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . 0.464 ' HG2' ' HG2' ' A' ' 851' ' ' GLU . 15.6 ptt180 -78.35 -27.46 47.03 Favored 'General case' 0 C--O 1.224 -0.263 0 N-CA-C 108.903 -0.777 . . . . 50.0 108.903 179.1 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . 0.464 ' HG2' ' HG2' ' A' ' 850' ' ' ARG . 25.5 mm-40 -85.74 -39.31 17.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.483 -0.78 . . . . 50.0 110.167 -175.481 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.19 77.01 77.43 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 115.842 -0.617 . . . . 50.0 110.099 179.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.21 -32.24 79.58 Favored 'Trans proline' 0 CA--C 1.553 1.432 0 N-CA-C 118.895 2.613 . . . . 25.0 118.895 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -77.48 -166.39 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.23 0 C-N-CA 114.794 -3.004 . . . . 50.0 112.809 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -49.82 -19.13 0.6 Allowed 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.739 1.385 . . . . 50.0 114.739 -178.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -50.17 -40.83 48.0 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 121.845 -0.534 . . . . 50.0 111.671 175.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.28 98.26 Favored 'General case' 0 C--O 1.214 -0.764 0 C-N-CA 121.058 -0.257 . . . . 25.0 111.492 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -65.96 -41.4 91.26 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.217 0.532 . . . . 50.0 109.681 -178.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -67.4 -26.68 66.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.278 -0.419 . . . . 50.0 110.622 175.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 39.5 m -73.29 -44.54 58.97 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 108.902 -0.777 . . . . 50.0 108.902 177.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 22.8 mt -62.35 -35.65 70.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.233 -0.654 . . . . 50.0 109.233 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.69 -8.28 19.9 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.528 0.936 . . . . 25.0 113.528 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -124.05 -33.57 3.09 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.027 1.121 . . . . 50.0 114.027 177.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 34.7 ttm -61.63 146.37 49.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.596 0.712 . . . . 50.0 112.062 -175.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -72.57 141.91 83.25 Favored Pre-proline 0 C--O 1.211 -0.929 0 CA-C-N 115.657 -0.701 . . . . 25.0 110.11 -171.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -75.9 145.41 28.45 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 CA-C-O 121.738 0.641 . . . . 50.0 112.079 177.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . 0.41 ' CE2' ' HB3' ' A' ' 842' ' ' TYR . 63.6 t80 -111.41 132.21 54.62 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.418 -0.81 . . . . 50.0 112.171 -179.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 7.1 t -137.56 36.23 2.46 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 122.193 0.997 . . . . 25.0 108.884 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -84.07 -167.57 42.54 Favored Glycine 0 CA--C 1.523 0.541 0 CA-C-N 115.443 -0.798 . . . . 50.0 114.053 -176.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -70.47 -26.23 24.46 Favored 'Trans proline' 0 C--O 1.222 -0.303 0 CA-C-N 118.677 1.239 . . . . 50.0 114.727 -178.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -97.45 19.9 12.56 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.714 0.769 . . . . 50.0 109.616 -177.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 83.9 p -75.77 154.72 36.12 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 115.803 1.779 . . . . 50.0 115.803 -171.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 4.0 m -140.28 162.79 47.87 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 103.038 -2.949 . . . . 50.0 103.038 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -68.95 -6.63 18.63 Favored 'Trans proline' 0 CA--C 1.535 0.534 0 C-N-CA 116.84 -1.64 . . . . 50.0 114.987 -176.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -111.87 26.81 11.06 Favored Glycine 0 C--O 1.227 -0.313 0 N-CA-C 112.147 -0.381 . . . . 50.0 112.147 177.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -91.97 141.12 28.98 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.961 0.726 . . . . 25.0 112.961 -175.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 54.0 mt -137.28 142.67 41.94 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.069 -1.456 . . . . 50.0 107.069 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -91.51 111.08 22.44 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 107.289 -1.374 . . . . 50.0 107.289 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -81.66 -36.38 28.85 Favored 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 109.233 -0.654 . . . . 50.0 109.233 -177.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -26.13 68.56 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 122.05 0.928 . . . . 50.0 108.521 -176.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 7.9 t -87.86 -15.45 36.72 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 114.32 1.23 . . . . 50.0 114.32 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -65.85 -38.81 89.84 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.258 0.836 . . . . 50.0 113.258 -175.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 6.2 p -57.73 -26.44 61.81 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.134 0.79 . . . . 50.0 113.134 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 12.4 t -109.16 -4.12 16.78 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.947 0.721 . . . . 25.0 112.947 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -154.72 129.09 9.06 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.493 0.923 . . . . 25.0 113.493 -177.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--N 1.325 -0.489 0 N-CA-C 104.762 -2.31 . . . . 50.0 104.762 175.768 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 C--O 1.221 -0.42 0 N-CA-C 110.677 -0.119 . . . . 50.0 110.677 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.02 -58.61 3.19 Favored 'General case' 0 CA--C 1.504 -0.814 0 N-CA-C 109.19 -0.67 . . . . 50.0 109.19 -179.331 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 23.9 ptp -57.1 -26.32 60.26 Favored 'General case' 0 C--O 1.219 -0.504 0 C-N-CA 119.753 -0.779 . . . . 50.0 111.394 178.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.98 -55.69 26.77 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.692 -0.686 . . . . 50.0 109.632 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -72.37 -31.93 66.0 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 121.165 -0.214 . . . . 50.0 110.544 -177.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -59.27 -48.19 82.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.902 -0.499 . . . . 50.0 109.853 175.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 -66.79 -45.12 79.44 Favored 'General case' 0 CA--C 1.508 -0.647 0 N-CA-C 109.159 -0.682 . . . . 50.0 109.159 -179.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -63.89 -36.44 83.95 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.885 0.698 . . . . 25.0 112.885 -177.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 45.1 m -71.6 -41.93 68.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 118.438 0.563 . . . . 25.0 110.009 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -39.77 92.34 Favored 'General case' 0 C--O 1.209 -1.066 0 N-CA-C 107.33 -1.359 . . . . 50.0 107.33 177.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.94 -30.76 67.16 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 112.519 0.562 . . . . 50.0 112.519 179.337 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -71.11 -31.32 67.63 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.787 -0.57 . . . . 50.0 110.352 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -91.91 -38.23 12.42 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 109.014 -0.735 . . . . 50.0 109.014 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -88.31 68.18 8.88 Favored 'General case' 0 CA--C 1.505 -0.778 0 CA-C-O 122.649 1.214 . . . . 50.0 109.192 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -75.05 -9.63 58.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.184 -1.371 . . . . 50.0 110.516 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -90.48 -10.78 42.42 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.477 -0.783 . . . . 50.0 109.242 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 51.73 40.82 28.37 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.651 1.18 . . . . 25.0 113.425 -178.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 19.0 m -72.93 -20.64 61.02 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 108.954 -0.758 . . . . 25.0 108.954 176.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 88.53 1.26 81.1 Favored Glycine 0 C--O 1.24 0.474 0 N-CA-C 110.127 -1.189 . . . . 50.0 110.127 -178.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -149.42 155.46 40.46 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.033 -1.099 . . . . 25.0 108.033 -175.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 766' ' ' LEU . . . . . 0.452 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 20.9 mt -136.35 173.19 11.97 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.939 -1.134 . . . . 50.0 107.939 176.015 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.83 173.12 54.65 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 109.857 -1.297 . . . . 50.0 109.857 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -66.53 -36.09 27.42 Favored 'Trans proline' 0 C--O 1.218 -0.525 0 CA-C-N 117.75 0.775 . . . . 50.0 112.873 -176.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -73.82 -35.93 64.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.487 0.66 . . . . 50.0 110.317 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -70.28 -51.64 28.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.938 -0.574 . . . . 50.0 110.33 -177.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 771' ' ' PHE . . . . . 0.452 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -61.0 -30.98 70.61 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 113.035 0.754 . . . . 50.0 113.035 174.051 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -63.34 -47.38 82.4 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 109.039 -0.726 . . . . 75.0 109.039 176.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -70.87 -24.44 62.51 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.247 0.546 . . . . 25.0 110.969 -178.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 49.4 t -62.61 -35.93 81.15 Favored 'General case' 0 C--O 1.209 -1.049 0 N-CA-C 109.429 -0.582 . . . . 50.0 109.429 176.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 14.2 mt -65.34 -33.71 76.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.817 0.818 . . . . 75.0 110.674 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 58.1 mt -59.58 -31.34 46.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 O-C-N 121.619 -0.676 . . . . 50.0 111.032 -177.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 82.8 p -63.9 -21.26 66.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.718 0.294 . . . . 50.0 111.697 178.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 16.7 mt -90.81 -18.6 24.6 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-O 121.203 0.525 . . . . 50.0 111.058 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 122.0 21.01 2.96 Favored Glycine 0 C--O 1.211 -1.282 0 CA-C-N 116.037 -0.529 . . . . 50.0 114.207 -179.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -92.1 146.03 24.05 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 107.91 -1.144 . . . . 50.0 107.91 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -101.64 33.34 3.01 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 107.882 -1.155 . . . . 50.0 107.882 178.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 57.3 mt . . . . . 0 N--CA 1.443 -0.775 0 N-CA-C 105.737 -1.949 . . . . 50.0 105.737 -177.062 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.203 -1.817 0 N-CA-C 109.65 -1.38 . . . . 50.0 109.65 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -57.5 -40.12 78.0 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 121.697 -0.884 . . . . 50.0 111.576 177.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -61.69 -36.81 81.96 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.006 0.373 . . . . 25.0 112.006 -178.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -89.39 -24.98 21.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.43 0.633 . . . . 50.0 110.189 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -68.12 -33.86 75.29 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.819 -0.808 . . . . 50.0 108.819 178.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.48 -28.06 66.68 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 121.664 0.745 . . . . 25.0 111.1 176.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -81.71 -40.98 21.95 Favored 'General case' 0 C--O 1.219 -0.553 0 N-CA-C 108.072 -1.084 . . . . 50.0 108.072 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 39.7 mt -62.16 -47.68 92.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 114.588 -1.187 . . . . 50.0 111.338 -176.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 13.9 ptt? -62.39 -26.53 68.52 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-O 120.761 0.315 . . . . 50.0 111.783 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 49.2 m -76.66 -16.92 59.41 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.507 -0.315 . . . . 25.0 110.894 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 57.8 mt -94.48 -48.64 12.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.454 0.645 . . . . 50.0 110.55 -178.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 23.2 m -75.35 -15.67 15.72 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-O 121.528 0.68 . . . . 50.0 112.675 -176.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -151.93 68.66 7.51 Favored Pre-proline 0 CA--C 1.542 0.646 0 CA-C-N 115.268 -0.878 . . . . 50.0 110.506 -174.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -71.19 -10.04 26.57 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 118.015 -0.857 . . . . 50.0 111.897 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -90.03 -9.21 49.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.314 -0.403 . . . . 50.0 110.191 -179.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? 55.06 50.51 15.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 122.259 1.028 . . . . 50.0 111.222 -177.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 87.3 mt -71.22 -26.0 62.74 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 113.978 -1.465 . . . . 50.0 108.337 174.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 89.41 19.78 47.86 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 110.776 -0.93 . . . . 50.0 110.776 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 7.8 m -145.3 153.1 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 CA-C-O 121.596 0.713 . . . . 50.0 110.105 -177.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 14.8 t -131.58 131.61 62.54 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.47 0 CA-C-N 115.19 -0.914 . . . . 50.0 109.827 -177.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.31 159.78 14.72 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.01 -0.737 . . . . 25.0 109.01 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -50.75 -44.53 58.46 Favored 'General case' 0 C--O 1.208 -1.104 0 O-C-N 123.433 0.458 . . . . 50.0 110.364 178.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -24.01 61.39 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 119.979 -0.688 . . . . 50.0 110.03 -174.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -74.95 -40.07 60.98 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.293 -0.563 . . . . 25.0 111.896 -177.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.431 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.3 p90 -70.17 -30.6 67.78 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 118.755 -1.178 . . . . 50.0 109.607 178.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 12.0 mm -63.03 -29.55 47.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.315 0.579 . . . . 50.0 109.728 177.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -61.99 -43.87 97.93 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.202 0.525 . . . . 50.0 110.731 -178.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 815' ' ' PHE . . . . . 0.431 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.6 p90 . . . . . 0 CA--C 1.508 -0.658 0 C-N-CA 119.21 -0.996 . . . . 50.0 111.766 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.52 0 N-CA-C 108.005 -1.109 . . . . 50.0 108.005 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -58.7 -39.34 80.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.087 -0.506 . . . . 25.0 111.193 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 77.4 p -67.68 -41.43 83.68 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 120.133 -0.627 . . . . 50.0 111.411 -179.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -64.64 -37.51 87.81 Favored 'General case' 0 C--O 1.202 -1.401 0 N-CA-C 108.938 -0.764 . . . . 50.0 108.938 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -60.51 -27.09 67.34 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.318 0.488 . . . . 50.0 112.318 -178.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 75.5 mt -75.52 -42.57 42.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.137 -0.69 . . . . 50.0 109.137 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.87 -27.72 26.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.899 0.857 . . . . 50.0 111.83 -176.427 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -84.27 -8.97 58.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.56 -0.746 . . . . 25.0 111.305 -178.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -60.15 -16.64 42.16 Favored Glycine 0 CA--C 1.523 0.561 0 O-C-N 123.855 0.722 . . . . 50.0 112.366 177.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -65.85 -29.97 70.51 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.612 0.765 . . . . 25.0 109.668 174.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -134.36 -149.92 0.37 Allowed 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 109.032 -0.729 . . . . 50.0 109.032 -177.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -125.13 10.75 8.15 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.677 -0.639 . . . . 50.0 110.048 175.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -155.87 -179.49 8.17 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 107.634 -1.247 . . . . 50.0 107.634 -176.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.5 149.27 32.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 N-CA-C 108.093 -1.077 . . . . 50.0 108.093 -178.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 39.9 p -100.59 160.32 14.44 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 107.761 -1.2 . . . . 25.0 107.761 173.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 74.9 mtm -56.6 -36.75 69.75 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 114.877 -1.056 . . . . 50.0 110.103 176.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -72.12 -36.83 69.54 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-O 121.157 0.503 . . . . 25.0 110.869 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -68.3 -44.55 75.2 Favored 'General case' 0 C--O 1.222 -0.363 0 O-C-N 121.829 -0.545 . . . . 50.0 111.111 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.7 pp -70.41 -26.2 63.58 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 119.734 -0.787 . . . . 50.0 110.994 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -71.17 -12.96 61.77 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 120.967 -1.083 . . . . 50.0 111.12 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -70.74 -25.6 62.99 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.69 -0.485 . . . . 50.0 109.69 177.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -85.16 -41.93 15.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 122.014 0.912 . . . . 50.0 110.809 -178.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.72 81.4 69.54 Favored Pre-proline 0 C--O 1.22 -0.463 0 CA-C-N 115.177 -0.92 . . . . 50.0 109.946 -177.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -63.38 -22.02 71.54 Favored 'Trans proline' 0 CA--C 1.547 1.15 0 N-CA-C 119.771 2.95 . . . . 25.0 119.771 -178.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -80.05 -164.0 0.26 Allowed 'Trans proline' 0 C--N 1.365 1.439 0 C-N-CA 113.891 -3.606 . . . . 50.0 111.711 175.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -52.4 -16.18 0.81 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.86 1.43 . . . . 50.0 114.86 -178.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -53.22 -37.71 62.27 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 121.761 -0.587 . . . . 50.0 110.963 175.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -69.88 -40.47 75.68 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.53 -0.174 . . . . 25.0 110.53 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -60.94 -45.13 95.93 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 122.642 1.21 . . . . 50.0 108.507 -177.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -67.13 -32.51 73.68 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 114.913 -1.039 . . . . 50.0 109.86 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 21.8 m -70.69 -38.38 73.68 Favored 'General case' 0 C--O 1.219 -0.513 0 O-C-N 122.083 -0.386 . . . . 50.0 110.457 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 20.6 mt -63.16 -40.31 88.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.225 -0.657 . . . . 50.0 109.225 178.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -66.06 -19.6 65.9 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.119 0.414 . . . . 25.0 112.119 178.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -101.81 -29.15 12.03 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 113.226 0.824 . . . . 50.0 113.226 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 4.9 ttm -69.2 147.13 51.74 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.376 0.607 . . . . 50.0 111.754 -177.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -74.75 144.3 79.89 Favored Pre-proline 0 N--CA 1.442 -0.866 0 CA-C-N 115.2 -0.909 . . . . 25.0 108.631 -176.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -74.24 150.57 42.34 Favored 'Trans proline' 0 N--CA 1.464 -0.26 0 CA-C-O 121.961 0.734 . . . . 50.0 112.605 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -115.85 123.62 48.62 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.254 -0.884 . . . . 50.0 111.17 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 1.9 m -128.47 47.61 2.42 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.995 0.902 . . . . 25.0 108.698 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -93.36 -167.2 38.29 Favored Glycine 0 CA--C 1.523 0.587 0 CA-C-N 115.556 -0.747 . . . . 50.0 113.741 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -70.46 -26.54 24.18 Favored 'Trans proline' 0 CA--C 1.533 0.471 0 CA-C-N 118.802 1.301 . . . . 50.0 114.858 -177.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -98.39 21.52 10.97 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 108.791 -0.818 . . . . 50.0 108.791 -177.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 84.0 p -74.28 150.37 40.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.814 1.292 . . . . 50.0 113.922 -171.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.9 m -138.11 164.28 41.76 Favored Pre-proline 0 C--N 1.32 -0.704 0 N-CA-C 102.769 -3.048 . . . . 50.0 102.769 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -67.44 -8.2 21.43 Favored 'Trans proline' 0 N--CA 1.475 0.386 0 C-N-CA 117.704 -1.064 . . . . 50.0 114.651 -178.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -114.12 29.02 7.95 Favored Glycine 0 CA--C 1.507 -0.45 0 N-CA-C 111.262 -0.735 . . . . 50.0 111.262 177.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -92.4 136.83 32.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.397 0.617 . . . . 25.0 111.357 -178.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 49.1 mt -135.25 137.95 43.07 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 108.078 -1.082 . . . . 50.0 108.078 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -89.43 103.29 15.94 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 107.877 -1.157 . . . . 50.0 107.877 178.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -71.42 -36.74 71.43 Favored 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 114.841 -1.072 . . . . 50.0 108.366 -177.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 3.9 ttm -62.4 -27.42 69.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.746 0.784 . . . . 50.0 110.4 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 4.7 t -88.59 -14.25 38.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.195 -0.911 . . . . 50.0 113.352 -177.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -59.88 -43.08 94.94 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 121.975 -0.453 . . . . 50.0 111.839 -177.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 60.0 m -65.69 -6.98 13.03 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.334 0.864 . . . . 50.0 113.334 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 47.5 p -109.11 -18.67 13.59 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.129 0.418 . . . . 25.0 112.129 177.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -158.86 139.85 12.89 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 122.579 0.352 . . . . 25.0 111.542 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 N--CA 1.466 0.374 0 N-CA-C 106.843 -1.54 . . . . 50.0 106.843 177.016 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.242 0 CA-C-O 117.829 -1.539 . . . . 25.0 110.998 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 50.0 m 48.65 48.1 20.14 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 124.604 0.826 . . . . 25.0 110.827 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 89.4 p -145.4 -176.91 5.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 122.123 0.963 . . . . 25.0 113.023 -175.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 1.1 mt -64.4 140.1 20.26 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 N-CA-C 115.147 1.536 . . . . 50.0 115.147 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 4.1 m -82.44 167.39 18.5 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.514 -0.766 . . . . 50.0 110.886 175.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -62.57 -39.13 92.69 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 121.169 -0.957 . . . . 50.0 110.416 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -74.74 -20.8 59.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.469 -0.787 . . . . 50.0 111.434 178.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.22 -56.02 5.38 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-O 121.013 0.435 . . . . 50.0 110.379 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 22.5 ptp -59.05 -24.54 62.96 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.195 -0.602 . . . . 50.0 110.974 178.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.5 -54.68 42.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.055 -0.52 . . . . 50.0 110.07 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -72.64 -33.45 66.61 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.43 -0.35 . . . . 50.0 110.799 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.1 -47.24 87.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.544 0.688 . . . . 50.0 110.374 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -69.12 -40.11 78.49 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 108.932 -0.766 . . . . 50.0 108.932 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.6 -39.88 92.04 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.273 0.842 . . . . 25.0 113.273 -177.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 8.3 p -68.59 -44.64 73.94 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.795 -0.362 . . . . 25.0 110.545 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -40.81 91.21 Favored 'General case' 0 C--O 1.208 -1.094 0 N-CA-C 107.788 -1.189 . . . . 50.0 107.788 177.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.99 -29.57 67.8 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.362 0.505 . . . . 50.0 112.362 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -71.59 -40.88 69.57 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.198 0.523 . . . . 50.0 110.257 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -82.3 -35.18 28.24 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.798 -0.637 . . . . 50.0 110.603 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -96.69 77.52 2.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.89 1.329 . . . . 50.0 108.331 -178.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -78.6 -6.96 57.03 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.185 -1.371 . . . . 50.0 111.506 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -87.43 -14.61 40.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 122.114 0.959 . . . . 50.0 109.005 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 55.45 37.79 29.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 113.909 -1.496 . . . . 25.0 110.553 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 32.7 t -69.51 -26.72 64.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 122.299 1.047 . . . . 25.0 109.1 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 93.96 -1.03 67.49 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 109.183 -1.567 . . . . 50.0 109.183 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 39.9 p -146.37 154.5 41.72 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 109.088 -0.708 . . . . 25.0 109.088 -176.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 766' ' ' LEU . . . . . 0.447 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 22.8 mt -138.61 173.2 11.84 Favored 'General case' 0 CA--C 1.507 -0.684 0 O-C-N 123.99 0.807 . . . . 50.0 109.02 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.23 171.82 54.41 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.597 -0.811 . . . . 50.0 111.878 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -66.2 -29.71 46.92 Favored 'Trans proline' 0 C--O 1.217 -0.539 0 C-N-CA 121.25 1.3 . . . . 50.0 113.627 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -82.59 -37.14 25.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.987 -0.446 . . . . 50.0 110.513 178.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -63.58 -54.81 30.25 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-O 121.199 0.523 . . . . 50.0 110.389 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 771' ' ' PHE . . . . . 0.447 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.4 OUTLIER -59.35 -28.05 66.49 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.603 0.964 . . . . 50.0 113.603 174.238 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -68.11 -45.13 74.51 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 118.595 0.634 . . . . 50.0 109.381 178.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -70.79 -26.55 63.38 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.343 0.592 . . . . 25.0 110.38 177.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 50.0 t -62.67 -29.94 71.02 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 122.007 -0.433 . . . . 50.0 111.569 176.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 16.1 mt -68.6 -35.96 78.03 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 109.198 -0.667 . . . . 75.0 109.198 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 58.4 mt -57.52 -34.65 47.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.367 -0.605 . . . . 50.0 109.367 -176.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -19.03 63.5 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.518 0.562 . . . . 50.0 112.518 178.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 22.8 mt -96.71 -15.36 21.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.834 0.349 . . . . 50.0 110.648 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 111.68 40.25 1.23 Allowed Glycine 0 N--CA 1.47 0.954 0 N-CA-C 115.208 0.843 . . . . 50.0 115.208 -178.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -108.94 132.15 54.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 122.284 -0.539 . . . . 50.0 109.957 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -81.72 47.91 1.14 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.699 0.8 . . . . 50.0 111.067 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 60.5 mt -121.87 81.8 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 108.451 -0.944 . . . . 50.0 108.451 -175.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -169.45 106.02 0.24 Allowed Glycine 0 C--O 1.202 -1.867 0 C-N-CA 121.254 -0.498 . . . . 50.0 113.957 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 60.69 19.09 9.13 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.639 0.775 . . . . 25.0 113.036 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -109.4 144.35 29.62 Favored Pre-proline 0 C--N 1.327 -0.394 0 N-CA-C 106.073 -1.825 . . . . 50.0 106.073 175.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -70.86 -21.76 27.92 Favored 'Trans proline' 0 N--CA 1.476 0.488 0 CA-C-N 118.073 0.348 . . . . 50.0 112.963 -175.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -80.6 -37.67 30.75 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 108.177 -1.045 . . . . 50.0 108.177 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -65.88 -41.74 95.32 Favored Glycine 0 C--O 1.204 -1.751 0 N-CA-C 108.012 -2.035 . . . . 50.0 108.012 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -61.43 -37.1 82.27 Favored 'General case' 0 C--N 1.317 -0.813 0 O-C-N 122.051 -0.676 . . . . 50.0 110.915 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -65.41 -36.86 85.22 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.586 0.708 . . . . 25.0 111.728 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -86.01 -25.96 25.67 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.399 -0.813 . . . . 50.0 110.97 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.24 -33.69 76.33 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.092 -1.077 . . . . 50.0 108.092 177.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.9 -29.12 68.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.468 0.651 . . . . 25.0 110.752 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -75.84 -42.64 49.07 Favored 'General case' 0 CA--C 1.503 -0.846 0 N-CA-C 108.028 -1.101 . . . . 50.0 108.028 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 71.6 mt -65.31 -49.85 76.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 114.158 -1.383 . . . . 50.0 111.201 -174.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 19.0 ptt? -61.09 -28.2 68.91 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.904 0.383 . . . . 50.0 111.51 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 49.8 m -74.39 -18.22 60.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.377 -0.827 . . . . 25.0 112.839 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 77.0 mt -93.7 -47.95 13.38 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.014 0 CA-C-O 121.027 0.441 . . . . 50.0 109.908 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 20.9 m -76.72 -14.99 14.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.805 -0.634 . . . . 50.0 111.473 -176.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -150.81 67.32 7.82 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 121.981 0.896 . . . . 50.0 112.502 -176.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -72.85 -6.83 19.73 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 118.447 -0.569 . . . . 50.0 112.095 177.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -92.36 -4.63 53.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.283 -0.261 . . . . 50.0 111.2 -179.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? 54.06 50.32 16.89 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.764 0.793 . . . . 50.0 111.522 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 86.7 mt -75.57 -24.6 56.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.079 -1.419 . . . . 50.0 108.693 175.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 83.94 20.65 59.05 Favored Glycine 0 C--O 1.223 -0.569 0 CA-C-N 115.035 -0.984 . . . . 50.0 111.064 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 9.9 m -147.08 156.53 10.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 117.547 0.674 . . . . 50.0 110.284 -176.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 10.8 t -131.79 133.04 61.69 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.047 0 C-N-CA 123.113 0.565 . . . . 50.0 110.264 -177.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.73 160.85 14.15 Favored 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 109.376 -0.601 . . . . 25.0 109.376 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -54.22 -42.43 69.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.557 0.694 . . . . 50.0 109.468 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.84 -24.82 61.76 Favored 'General case' 0 C--N 1.316 -0.853 0 O-C-N 121.923 -0.486 . . . . 50.0 110.168 -175.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -75.14 -40.74 59.46 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.4 -0.52 . . . . 25.0 112.108 -177.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.406 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.1 p90 -68.4 -31.8 71.4 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 118.022 -1.471 . . . . 50.0 109.613 176.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 13.5 mm -63.27 -30.01 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 121.408 0.623 . . . . 50.0 109.554 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -59.37 -41.48 89.41 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.333 -0.394 . . . . 50.0 110.526 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 815' ' ' PHE . . . . . 0.406 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 4.3 p90 -83.07 -26.88 30.68 Favored 'General case' 0 C--O 1.214 -0.776 0 C-N-CA 119.665 -0.814 . . . . 50.0 111.493 176.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.06 -34.17 77.45 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 107.367 -1.345 . . . . 50.0 107.367 -177.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 34.1 t -62.43 -21.85 65.73 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 123.401 0.68 . . . . 50.0 112.354 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 -85.96 -33.89 21.01 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 110.121 -0.325 . . . . 50.0 110.121 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -80.69 -30.44 36.41 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.585 0.707 . . . . 50.0 111.338 -178.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 7.0 t -81.3 2.57 27.56 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 112.369 0.507 . . . . 25.0 112.369 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -56.57 -40.22 74.81 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 114.326 1.232 . . . . 25.0 114.326 -176.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -102.48 28.97 5.54 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 115.701 -0.681 . . . . 50.0 112.793 -175.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 4.8 t -145.26 165.52 28.15 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.282 -0.886 . . . . 25.0 110.712 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -155.15 169.63 23.69 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 122.213 1.006 . . . . 25.0 111.893 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 49.7 p -136.65 154.58 50.6 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 106.1 -1.815 . . . . 25.0 106.1 172.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -59.65 -35.09 73.71 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.12 0.486 . . . . 25.0 111.812 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -60.2 -57.29 13.45 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.13 0.491 . . . . 50.0 111.802 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -68.51 -28.82 67.34 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 113.747 1.017 . . . . 50.0 113.747 -176.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 4.6 p -75.19 -42.23 44.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 118.9 -1.12 . . . . 50.0 110.026 -177.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -40.92 76.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.441 0.639 . . . . 50.0 110.218 179.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.86 -42.67 98.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.894 -0.593 . . . . 25.0 110.79 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 54.9 m -66.6 -38.95 88.07 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.923 0.712 . . . . 50.0 112.923 -176.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -60.19 -39.52 86.81 Favored 'General case' 0 C--O 1.216 -0.669 0 C-N-CA 119.75 -0.78 . . . . 50.0 111.284 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -62.27 -23.36 66.66 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.572 0.582 . . . . 50.0 112.572 -178.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 74.9 mt -76.83 -42.6 33.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 108.309 -0.997 . . . . 50.0 108.309 -177.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.87 -28.2 24.55 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.282 -0.567 . . . . 50.0 112.364 -176.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -100.8 13.11 36.06 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 113.042 0.756 . . . . 25.0 113.042 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -61.72 -19.11 57.97 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 120.573 -0.823 . . . . 50.0 112.019 176.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -79.16 -18.52 52.94 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.14 0.576 . . . . 25.0 111.821 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -130.07 -169.77 2.19 Favored 'General case' 0 C--O 1.213 -0.858 0 N-CA-C 109.219 -0.66 . . . . 50.0 109.219 -178.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -114.08 10.66 17.48 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 122.089 -0.382 . . . . 50.0 110.39 175.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -154.43 174.35 15.01 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 122.09 0.156 . . . . 50.0 110.75 -175.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 2.2 tp -128.9 149.27 33.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 107.592 -1.262 . . . . 50.0 107.592 -176.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 45.0 p -100.53 159.14 15.39 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 121.036 -1.04 . . . . 25.0 109.969 172.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 72.6 mtm -59.85 -32.4 70.65 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 121.71 0.767 . . . . 50.0 109.941 175.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -66.5 -46.6 75.72 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.838 -0.619 . . . . 25.0 110.982 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -66.44 -46.36 76.71 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.979 -0.555 . . . . 50.0 111.442 -177.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.7 pp -65.49 -24.17 67.08 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.301 0.482 . . . . 50.0 112.301 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -71.41 -17.27 62.41 Favored 'General case' 0 C--O 1.222 -0.375 0 O-C-N 121.387 -0.82 . . . . 50.0 109.987 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -72.0 -27.12 62.53 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.329 -0.857 . . . . 50.0 109.06 175.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -81.54 -39.42 24.69 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 112.474 0.546 . . . . 50.0 112.474 -174.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.78 83.51 16.49 Favored Pre-proline 0 C--O 1.213 -0.865 0 N-CA-C 108.378 -0.971 . . . . 50.0 108.378 178.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -62.23 -24.34 76.06 Favored 'Trans proline' 0 CA--C 1.556 1.592 0 N-CA-C 120.622 3.278 . . . . 25.0 120.622 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -77.08 -161.2 0.13 Allowed 'Trans proline' 0 C--N 1.358 1.068 0 C-N-CA 115.165 -2.757 . . . . 50.0 111.363 177.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -59.18 -12.99 6.01 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 114.71 1.374 . . . . 50.0 114.71 -177.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -53.4 -37.05 62.14 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.911 -0.493 . . . . 50.0 110.136 174.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.34 -42.29 96.34 Favored 'General case' 0 C--O 1.218 -0.586 0 C-N-CA 122.148 0.179 . . . . 25.0 110.934 175.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -66.48 -40.81 89.51 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.144 -1.058 . . . . 50.0 108.144 -178.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -65.37 -26.73 68.14 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.887 -0.597 . . . . 50.0 109.853 177.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 44.2 m -77.34 -45.26 26.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.636 -0.665 . . . . 50.0 110.133 177.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 29.3 mt -60.51 -35.01 60.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 N-CA-C 109.294 -0.632 . . . . 50.0 109.294 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.18 -8.41 17.11 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.057 1.132 . . . . 25.0 114.057 177.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -123.01 -29.04 3.98 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.549 0.944 . . . . 50.0 113.549 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.09 140.69 58.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.648 0.737 . . . . 50.0 112.873 -176.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -71.72 142.28 85.77 Favored Pre-proline 0 C--O 1.216 -0.695 0 CA-C-N 115.67 -0.695 . . . . 25.0 109.327 -177.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -76.0 153.1 36.88 Favored 'Trans proline' 0 C--N 1.349 0.563 0 CA-C-N 119.236 0.763 . . . . 50.0 112.88 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -117.37 127.99 54.59 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.365 0.876 . . . . 50.0 113.365 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 3.0 m -134.39 53.95 1.97 Allowed 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.899 0.857 . . . . 25.0 109.051 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -96.34 -164.82 33.48 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-N 115.644 -0.707 . . . . 50.0 112.54 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.57 -25.08 35.11 Favored 'Trans proline' 0 C--O 1.221 -0.331 0 CA-C-N 118.994 1.397 . . . . 50.0 115.06 -177.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -99.6 17.95 19.2 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.643 0.735 . . . . 50.0 110.937 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 15.6 p -69.58 146.1 52.02 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 115.153 1.538 . . . . 50.0 115.153 -172.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 8.9 m -134.89 163.62 49.93 Favored Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 102.619 -3.104 . . . . 50.0 102.619 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -58.31 -25.36 72.33 Favored 'Trans proline' 0 C--N 1.351 0.703 0 N-CA-C 115.678 1.376 . . . . 50.0 115.678 -176.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -104.42 28.47 14.92 Favored Glycine 0 C--O 1.225 -0.408 0 C-N-CA 120.743 -0.741 . . . . 50.0 113.798 178.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -85.13 133.75 34.2 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 122.011 -0.7 . . . . 25.0 110.795 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 60.4 mt -135.62 139.18 43.6 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.518 -1.29 . . . . 50.0 107.518 -178.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -88.21 101.26 13.66 Favored 'General case' 0 C--N 1.312 -1.06 0 O-C-N 121.144 -0.972 . . . . 50.0 109.513 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -74.29 -29.09 61.49 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-N 115.968 -0.56 . . . . 50.0 110.404 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -34.72 78.37 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.209 -1.034 . . . . 50.0 108.209 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 8.0 t -77.01 -32.18 56.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.388 -1.278 . . . . 50.0 112.188 -177.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -51.83 -41.12 61.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.255 0.55 . . . . 50.0 112.052 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 9.6 t -47.83 -30.94 4.45 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 115.871 1.804 . . . . 50.0 115.871 173.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 9.1 t -115.78 -8.3 12.0 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.281 1.215 . . . . 25.0 114.281 -179.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -152.99 136.16 15.65 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.324 0.49 . . . . 25.0 112.324 -178.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -146.51 154.7 41.86 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 105.622 -1.992 . . . . 50.0 105.622 178.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -119.9 -5.73 10.08 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 114.722 1.379 . . . . 50.0 114.722 -178.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -69.06 -24.81 75.78 Favored Glycine 0 C--O 1.227 -0.322 0 C-N-CA 120.266 -0.968 . . . . 25.0 112.43 -177.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -122.63 53.26 1.27 Allowed 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 107.861 -1.162 . . . . 50.0 107.861 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 74.9 m -72.33 -13.87 61.6 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 114.243 1.201 . . . . 25.0 114.243 -176.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -117.06 17.43 14.88 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 123.029 0.532 . . . . 50.0 111.943 -177.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 9.2 tt . . . . . 0 C--O 1.249 1.058 0 CA-C-O 117.776 -1.107 . . . . 50.0 112.181 178.922 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 CA-C-O 118.985 -0.897 . . . . 25.0 111.828 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 8.0 t 55.89 45.13 24.65 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 115.024 1.49 . . . . 25.0 115.024 177.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 62.9 p -74.48 -14.04 60.78 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 114.184 1.179 . . . . 25.0 114.184 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 4.1 mt -61.14 123.48 13.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 N-CA-C 116.637 2.088 . . . . 75.0 116.637 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 49.2 m -90.03 171.06 9.82 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 112.844 -1.98 . . . . 50.0 107.553 173.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -61.98 -35.34 78.21 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 120.987 -1.071 . . . . 50.0 110.358 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.18 -22.53 59.36 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.451 -0.34 . . . . 50.0 111.233 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.76 -57.17 4.29 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.234 0.54 . . . . 50.0 109.883 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 22.3 ptp -57.74 -25.46 60.44 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.674 -0.81 . . . . 50.0 111.091 178.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -54.45 36.16 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.545 -0.752 . . . . 50.0 110.791 179.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -72.78 -31.67 65.04 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.246 -0.434 . . . . 50.0 110.001 -177.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -59.11 -48.65 80.84 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.476 -0.564 . . . . 50.0 109.476 174.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -65.27 -45.37 84.79 Favored 'General case' 0 CA--C 1.508 -0.635 0 O-C-N 122.252 -0.28 . . . . 50.0 110.511 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -62.46 -39.24 92.76 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.554 0.575 . . . . 25.0 112.554 -178.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 44.5 m -66.86 -43.96 82.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 118.198 0.454 . . . . 25.0 110.842 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -41.19 97.42 Favored 'General case' 0 C--O 1.208 -1.11 0 N-CA-C 108.597 -0.89 . . . . 50.0 108.597 177.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.42 -32.52 71.54 Favored 'General case' 0 C--O 1.22 -0.498 0 N-CA-C 112.798 0.666 . . . . 50.0 112.798 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -67.19 -37.3 83.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.058 0.456 . . . . 50.0 110.371 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -87.21 -35.79 18.35 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.016 -0.538 . . . . 50.0 110.09 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -88.57 69.68 8.87 Favored 'General case' 0 CA--C 1.502 -0.897 0 CA-C-O 122.613 1.197 . . . . 50.0 108.457 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 27.3 mtp-105 -75.44 -1.99 26.61 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 113.964 -1.471 . . . . 50.0 110.913 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -95.26 -11.41 27.99 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 107.722 -1.214 . . . . 50.0 107.722 178.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 53.22 36.28 22.2 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 114.474 -1.239 . . . . 25.0 111.849 -178.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 45.2 t -69.13 -27.35 65.48 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.902 -1.045 . . . . 25.0 110.572 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 94.63 1.63 63.74 Favored Glycine 0 C--O 1.241 0.561 0 N-CA-C 109.003 -1.639 . . . . 50.0 109.003 -177.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -149.56 154.94 39.5 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 123.536 0.734 . . . . 25.0 109.189 -175.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 766' ' ' LEU . . . . . 0.436 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 14.5 mt -137.2 173.43 11.7 Favored 'General case' 0 CA--C 1.503 -0.844 0 N-CA-C 108.1 -1.074 . . . . 50.0 108.1 177.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.65 171.01 54.53 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 109.025 -1.63 . . . . 50.0 109.025 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -66.98 -34.05 30.49 Favored 'Trans proline' 0 C--O 1.221 -0.36 0 CA-C-N 118.499 1.15 . . . . 50.0 112.176 -178.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -74.42 -37.41 63.33 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.099 0.476 . . . . 50.0 111.029 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 82.0 mm-40 -64.28 -55.02 24.27 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.719 -0.474 . . . . 50.0 109.719 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 771' ' ' PHE . . . . . 0.436 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.4 OUTLIER -58.01 -33.52 69.04 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 112.677 0.621 . . . . 50.0 112.677 174.688 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -60.79 -46.99 88.34 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.056 0.844 . . . . 50.0 110.487 176.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -73.42 -24.21 60.23 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.467 0.651 . . . . 25.0 111.016 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 50.1 t -64.86 -35.1 80.05 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.726 -0.842 . . . . 50.0 108.726 176.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 10.6 mt -66.11 -33.94 76.92 Favored 'General case' 0 C--O 1.21 -0.983 0 CA-C-O 121.083 0.468 . . . . 75.0 109.983 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.99 -32.75 48.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 121.125 0.488 . . . . 50.0 110.301 -177.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 16.1 m -62.96 -20.73 65.53 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.158 0.429 . . . . 50.0 112.158 178.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 19.2 mt -92.61 -20.55 20.76 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.192 -0.458 . . . . 50.0 110.463 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 121.39 30.97 1.21 Allowed Glycine 0 N--CA 1.463 0.497 0 CA-C-N 115.802 -0.636 . . . . 50.0 114.563 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -98.58 143.34 29.09 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 105.628 -1.99 . . . . 50.0 105.628 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -101.78 31.07 4.01 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.723 0.773 . . . . 50.0 110.861 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 77.8 mt -96.26 87.43 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 105.285 -2.117 . . . . 50.0 105.285 -178.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -163.79 106.78 0.28 Allowed Glycine 0 C--O 1.225 -0.435 0 N-CA-C 117.857 1.903 . . . . 50.0 117.857 -173.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 43.3 t30 59.56 30.06 19.67 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.143 0.977 . . . . 25.0 113.142 174.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -131.33 160.35 67.56 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.488 -0.778 . . . . 50.0 109.283 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.62 -16.28 24.05 Favored 'Trans proline' 0 CA--C 1.512 -0.619 0 C-N-CA 117.635 -1.11 . . . . 50.0 114.528 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -85.29 -38.03 19.31 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 118.711 -1.196 . . . . 50.0 108.17 -174.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -65.7 -45.25 90.05 Favored Glycine 0 C--O 1.211 -1.289 0 N-CA-C 108.985 -1.646 . . . . 50.0 108.985 176.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.82 -33.36 70.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 118.441 1.12 . . . . 50.0 111.924 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -62.54 -38.29 89.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.444 -0.344 . . . . 25.0 111.055 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -92.89 -20.47 20.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.856 0.836 . . . . 50.0 111.561 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.56 -33.31 70.98 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 107.251 -1.388 . . . . 50.0 107.251 175.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -60.01 -33.38 71.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.467 -0.333 . . . . 25.0 111.663 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -82.12 -28.4 32.25 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 108.751 -0.833 . . . . 50.0 108.751 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 52.4 mt -69.43 -50.77 48.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.791 -0.448 . . . . 50.0 109.791 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 27.3 ptm -60.59 -31.67 70.81 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-O 120.781 0.325 . . . . 50.0 110.943 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 71.2 m -67.76 -20.31 65.21 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.402 0.519 . . . . 25.0 112.402 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 69.2 mt -95.19 -47.65 13.08 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.6 0 CA-C-O 121.131 0.491 . . . . 50.0 111.088 -177.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 31.5 m -76.27 -14.4 14.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.98 -0.554 . . . . 50.0 111.741 -177.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -154.08 68.53 6.05 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-O 121.725 0.774 . . . . 50.0 110.842 -176.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -70.94 -13.11 31.5 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 117.309 -1.327 . . . . 50.0 112.555 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.19 -7.86 57.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.793 -177.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 58.47 47.2 13.94 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 121.644 0.735 . . . . 50.0 111.2 -178.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 85.5 mt -70.98 -25.36 62.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.737 -1.12 . . . . 50.0 108.05 175.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 88.43 20.23 49.24 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.253 -0.885 . . . . 50.0 111.798 178.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 6.1 m -145.16 152.54 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 CA-C-N 117.137 0.469 . . . . 50.0 110.405 -176.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 14.1 t -130.74 131.48 64.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.908 -0.775 . . . . 50.0 108.908 179.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.2 161.36 13.85 Favored 'General case' 0 CA--C 1.502 -0.88 0 N-CA-C 109.305 -0.628 . . . . 25.0 109.305 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -53.65 -42.91 68.33 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 115.203 -0.908 . . . . 50.0 110.053 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -21.12 59.61 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 121.756 -0.59 . . . . 50.0 109.714 -174.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -76.93 -41.78 42.03 Favored 'General case' 0 C--O 1.215 -0.731 0 C-N-CA 120.373 -0.531 . . . . 25.0 111.225 -178.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.421 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 0.9 OUTLIER -67.59 -30.53 70.16 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 118.742 -1.183 . . . . 50.0 109.65 177.066 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 17.1 mm -64.05 -26.84 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-O 121.362 0.601 . . . . 50.0 109.968 177.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.56 -49.99 75.32 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.275 -0.639 . . . . 50.0 109.275 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 815' ' ' PHE . . . . . 0.421 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.8 p90 -78.78 -24.06 44.88 Favored 'General case' 0 C--O 1.209 -1.049 0 C-N-CA 119.005 -1.078 . . . . 50.0 111.321 -177.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -63.94 -34.63 78.42 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 106.575 -1.639 . . . . 50.0 106.575 -178.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 21.7 t -70.28 -31.41 68.76 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.821 -0.627 . . . . 50.0 110.499 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -75.19 -31.47 60.96 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 113.857 1.058 . . . . 50.0 113.857 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -76.67 -19.52 57.66 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 119.496 -0.882 . . . . 50.0 111.279 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 14.6 t -110.59 17.44 20.71 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.596 -0.89 . . . . 25.0 108.596 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -61.86 -70.66 0.18 Allowed 'General case' 0 C--O 1.24 0.572 0 N-CA-C 117.501 2.408 . . . . 25.0 117.501 -171.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -146.15 -174.13 4.36 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.788 1.033 . . . . 50.0 113.788 -166.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 15.4 t -153.6 154.14 33.67 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.582 -0.895 . . . . 25.0 108.582 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -94.05 0.22 55.8 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.195 1.183 . . . . 25.0 114.195 -175.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 48.2 p -55.36 -22.51 19.8 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 116.762 2.134 . . . . 25.0 116.762 -173.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -89.48 -18.38 26.83 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 114.753 1.39 . . . . 25.0 114.753 177.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -72.21 -33.95 67.98 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.059 -1.026 . . . . 50.0 112.369 -174.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.45 -34.87 64.87 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 114.39 1.256 . . . . 50.0 114.39 -175.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.98 -38.18 71.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.652 -0.87 . . . . 50.0 108.652 -177.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.16 -38.16 69.2 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 109.375 -0.602 . . . . 50.0 109.375 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.74 -41.73 91.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.933 -0.576 . . . . 25.0 110.409 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 60.1 p -60.22 -41.37 92.93 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.17 0.433 . . . . 50.0 112.17 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -68.45 -34.32 75.75 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.798 -0.564 . . . . 50.0 109.763 -179.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -68.2 -21.32 64.87 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.59 0.589 . . . . 50.0 112.59 -178.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 72.5 mt -83.78 -39.66 15.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 108.599 -0.889 . . . . 50.0 108.599 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.72 -29.83 25.24 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.052 -0.659 . . . . 50.0 111.758 -175.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -108.59 17.35 22.09 Favored 'General case' 0 C--O 1.205 -1.266 0 CA-C-N 115.707 -0.679 . . . . 25.0 112.424 -178.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -58.12 -24.97 56.21 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 109.21 -1.556 . . . . 50.0 109.21 171.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -67.79 -25.33 65.54 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.897 0.703 . . . . 25.0 112.897 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -128.5 178.51 6.24 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 118.776 0.717 . . . . 50.0 111.119 -176.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -102.89 14.73 31.26 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.859 -0.793 . . . . 50.0 108.859 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -159.43 175.82 12.86 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.296 -1.001 . . . . 50.0 108.296 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -136.77 155.27 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 N-CA-C 108.09 -1.078 . . . . 50.0 108.09 -178.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 37.4 p -103.68 158.14 16.58 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.543 0.687 . . . . 25.0 109.811 172.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 72.4 mtm -58.81 -36.49 74.57 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.554 -1.203 . . . . 50.0 109.931 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -68.57 -35.9 78.03 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.716 -0.675 . . . . 25.0 112.265 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -71.62 -46.37 59.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 122.234 -0.291 . . . . 50.0 111.455 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.2 pp -68.38 -26.53 65.61 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.607 -0.437 . . . . 50.0 110.039 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 22.5 mtt-85 -64.79 -12.76 51.24 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.06 0.763 . . . . 50.0 113.06 177.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . 0.438 ' HG2' ' HG2' ' A' ' 851' ' ' GLU . 4.1 ptp85 -79.74 -29.46 40.58 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.102 0.477 . . . . 50.0 110.544 177.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . 0.438 ' HG2' ' HG2' ' A' ' 850' ' ' ARG . 52.4 mm-40 -82.6 -37.93 24.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.472 -0.785 . . . . 50.0 110.13 -172.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.94 79.04 69.4 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 108.483 -0.932 . . . . 50.0 108.483 176.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -54.53 -33.26 77.64 Favored 'Trans proline' 0 CA--C 1.55 1.304 0 N-CA-C 118.69 2.535 . . . . 25.0 118.69 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -77.03 -166.74 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 C-N-CA 114.667 -3.089 . . . . 50.0 112.792 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -51.88 -16.54 0.73 Allowed 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.953 1.464 . . . . 50.0 114.953 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -52.98 -35.81 59.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.923 -0.486 . . . . 50.0 111.365 176.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -65.81 -39.7 91.16 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 120.799 -0.361 . . . . 25.0 111.338 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -65.21 -42.23 93.68 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.588 -0.893 . . . . 50.0 108.588 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -65.86 -29.32 69.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.792 -0.64 . . . . 50.0 110.283 177.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 36.5 m -73.16 -40.84 64.52 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 109.658 -0.497 . . . . 50.0 109.658 178.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 19.8 mt -64.08 -37.28 79.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.069 -0.715 . . . . 50.0 109.069 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -68.16 -13.54 62.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.096 -0.502 . . . . 25.0 111.937 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -107.45 -33.25 7.41 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 112.819 0.674 . . . . 50.0 112.819 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 6.1 ttm -66.87 160.77 25.39 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 113.268 0.84 . . . . 50.0 113.268 -175.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -86.33 142.82 35.86 Favored Pre-proline 0 C--N 1.319 -0.744 0 N-CA-C 107.368 -1.345 . . . . 25.0 107.368 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -76.29 152.11 34.59 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 CA-C-N 118.69 0.568 . . . . 50.0 111.978 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -109.17 138.33 45.69 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 113.745 1.017 . . . . 50.0 113.745 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 59.4 m -140.26 123.62 16.93 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 105.14 -2.17 . . . . 25.0 105.14 172.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -177.94 -170.13 39.76 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.459 -0.876 . . . . 50.0 111.883 -177.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.72 -28.15 31.03 Favored 'Trans proline' 0 C--O 1.221 -0.338 0 CA-C-N 119.067 1.434 . . . . 50.0 114.494 -177.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -98.9 16.74 21.42 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.747 0.785 . . . . 50.0 109.832 -177.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 83.0 p -72.95 148.53 44.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 122.632 1.206 . . . . 50.0 113.524 -174.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 5.6 m -138.17 163.55 46.77 Favored Pre-proline 0 C--N 1.318 -0.779 0 N-CA-C 103.109 -2.922 . . . . 50.0 103.109 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.37 -7.91 21.49 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 116.949 -1.567 . . . . 50.0 115.381 -176.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -115.53 32.64 5.61 Favored Glycine 0 C--O 1.223 -0.566 0 N-CA-C 112.28 -0.328 . . . . 50.0 112.28 177.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -94.37 137.67 33.24 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.733 0.642 . . . . 25.0 112.733 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 49.4 mt -134.87 143.22 46.87 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 106.814 -1.55 . . . . 50.0 106.814 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -91.45 111.08 22.43 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 106.452 -1.685 . . . . 50.0 106.452 177.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -84.79 -33.24 23.02 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-O 121.603 0.716 . . . . 50.0 109.439 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 3.3 mtt -65.08 -24.31 67.42 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.766 -0.827 . . . . 50.0 108.766 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.8 t -89.96 -16.92 28.89 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.219 -0.901 . . . . 50.0 113.162 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -56.74 -39.1 73.35 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.141 0.793 . . . . 50.0 113.141 -177.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 24.4 m -58.2 -24.36 58.82 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.151 1.167 . . . . 50.0 114.151 178.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 14.7 t -109.09 -7.73 15.28 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.85 0.685 . . . . 25.0 112.85 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -153.71 127.6 8.89 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.232 0.456 . . . . 25.0 112.232 -177.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 1.2 pp -146.69 152.09 38.27 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 106.188 -1.782 . . . . 50.0 106.188 177.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -122.62 -6.37 8.63 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.196 0.443 . . . . 50.0 112.196 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -95.92 47.8 1.83 Allowed Glycine 0 C--O 1.226 -0.362 0 N-CA-C 111.351 -0.7 . . . . 25.0 111.351 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -66.18 139.59 58.13 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.922 -0.77 . . . . 50.0 108.922 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 31.0 t -164.54 164.36 21.75 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 106.56 -1.645 . . . . 25.0 106.56 -175.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -72.99 -24.16 60.73 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.708 0.766 . . . . 50.0 108.965 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 46.4 tp . . . . . 0 C--O 1.248 0.978 0 CA-C-O 117.196 -1.383 . . . . 50.0 108.815 179.498 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 CA-C-O 117.989 -1.45 . . . . 25.0 110.969 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 3.6 m -52.32 117.48 2.86 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 114.364 1.246 . . . . 25.0 114.364 -176.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 35.9 t -76.44 -36.42 57.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 122.237 1.018 . . . . 25.0 108.814 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 3.5 mt -79.6 116.45 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 N-CA-C 115.958 1.836 . . . . 75.0 115.958 -178.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 67.9 m -92.34 173.64 7.7 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 111.443 -2.617 . . . . 50.0 105.925 170.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.95 -35.74 81.16 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.307 -1.496 . . . . 50.0 110.599 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -72.21 -24.76 61.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.158 -0.474 . . . . 50.0 110.993 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.05 -55.85 7.38 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 121.247 0.546 . . . . 50.0 110.278 178.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 23.7 ptp -59.17 -26.27 64.64 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 119.566 -0.854 . . . . 50.0 110.385 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -56.37 20.31 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.052 -0.522 . . . . 50.0 109.778 178.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -72.0 -30.78 65.58 Favored 'General case' 0 C--O 1.215 -0.742 0 CA-C-N 116.674 -0.239 . . . . 50.0 110.881 -177.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -59.47 -50.45 73.88 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.917 -0.772 . . . . 50.0 108.917 175.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -65.25 -44.3 88.57 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 116.289 -0.414 . . . . 50.0 110.773 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -66.7 -37.93 85.73 Favored 'General case' 0 C--O 1.209 -1.034 0 N-CA-C 112.371 0.508 . . . . 25.0 112.371 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 43.4 m -69.09 -42.17 76.5 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 118.584 0.629 . . . . 25.0 111.21 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -41.74 98.21 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 107.942 -1.133 . . . . 50.0 107.942 176.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.92 -34.04 75.85 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.226 0.454 . . . . 50.0 112.226 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -69.38 -36.47 76.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.905 -0.497 . . . . 50.0 110.809 -177.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -84.65 -35.97 22.27 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 109.949 -0.389 . . . . 50.0 109.949 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -87.09 67.92 9.85 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-O 123.018 1.39 . . . . 50.0 108.385 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -72.29 -8.03 52.69 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 113.746 -1.57 . . . . 50.0 110.552 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -93.76 -0.14 56.05 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.671 -0.863 . . . . 50.0 108.671 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 20.5 p80 40.48 39.06 0.66 Allowed 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.252 1.421 . . . . 25.0 114.701 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 89.1 p -78.71 -19.5 52.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.671 -0.695 . . . . 25.0 111.306 -179.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 94.88 -1.31 65.38 Favored Glycine 0 C--O 1.242 0.603 0 N-CA-C 109.894 -1.282 . . . . 50.0 109.894 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 28.2 p -143.73 165.49 27.52 Favored 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 122.833 0.453 . . . . 25.0 110.755 -176.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 766' ' ' LEU . . . . . 0.466 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 15.2 mt -145.32 171.67 14.25 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 109.086 -0.709 . . . . 50.0 109.086 176.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.52 174.13 55.18 Favored Glycine 0 N--CA 1.451 -0.355 0 N-CA-C 111.002 -0.839 . . . . 50.0 111.002 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -68.78 -29.02 29.59 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 CA-C-N 118.601 1.2 . . . . 50.0 113.009 -176.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 63.9 tt0 -80.59 -37.91 30.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.059 0.457 . . . . 50.0 110.676 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -64.48 -54.12 37.52 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.089 -0.505 . . . . 50.0 110.882 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 771' ' ' PHE . . . . . 0.466 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -60.44 -28.07 68.01 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 113.198 0.814 . . . . 50.0 113.198 175.347 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -68.06 -44.88 75.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 118.628 0.649 . . . . 50.0 109.754 177.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -73.26 -24.41 60.44 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.293 0.568 . . . . 25.0 111.019 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 46.3 t -61.84 -35.35 77.99 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.161 -0.681 . . . . 50.0 109.161 175.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 16.2 mt -67.3 -33.04 74.44 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-O 120.816 0.341 . . . . 75.0 110.188 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.4 mt -59.04 -34.25 52.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 109.334 -0.617 . . . . 50.0 109.334 -177.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 15.7 m -64.1 -19.01 64.95 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.538 0.569 . . . . 50.0 112.538 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 18.8 mt -94.11 -18.12 22.1 Favored 'General case' 0 C--O 1.219 -0.536 0 O-C-N 123.81 0.693 . . . . 50.0 110.342 179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 115.26 35.32 1.34 Allowed Glycine 0 C--N 1.332 0.336 0 N-CA-C 114.924 0.73 . . . . 50.0 114.924 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -101.53 133.54 46.03 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.325 -0.991 . . . . 50.0 108.325 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -85.78 49.76 1.83 Allowed 'General case' 0 CA--C 1.546 0.825 0 CA-C-O 121.962 0.887 . . . . 50.0 110.158 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 52.4 mt -125.09 77.62 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 108.567 -0.901 . . . . 50.0 108.567 -175.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -147.02 77.69 0.25 Allowed Glycine 0 C--O 1.218 -0.873 0 N-CA-C 114.877 0.711 . . . . 50.0 114.877 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 60.0 t30 67.42 12.99 9.2 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.163 0.985 . . . . 25.0 111.238 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -80.65 149.57 68.14 Favored Pre-proline 0 C--N 1.317 -0.824 0 N-CA-C 107.177 -1.416 . . . . 50.0 107.177 176.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -71.17 -19.54 29.48 Favored 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 114.97 -2.886 . . . . 50.0 112.634 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -83.06 -38.32 22.68 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 107.975 -1.12 . . . . 50.0 107.975 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -65.03 -45.29 92.64 Favored Glycine 0 C--O 1.208 -1.476 0 N-CA-C 110.132 -1.187 . . . . 50.0 110.132 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.16 -35.95 76.47 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.697 -0.884 . . . . 50.0 110.798 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.02 85.86 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.409 -0.359 . . . . 25.0 111.471 -178.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -87.69 -25.99 23.21 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 121.761 0.791 . . . . 50.0 110.402 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -68.93 -35.09 76.4 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.821 -0.807 . . . . 50.0 108.821 178.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -60.8 -28.58 68.88 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-O 121.567 0.698 . . . . 25.0 111.165 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -79.34 -38.43 35.15 Favored 'General case' 0 CA--C 1.482 -1.653 0 CA-C-O 123.655 1.693 . . . . 75.0 111.06 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 57.5 mt -65.73 -47.75 84.8 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.404 0 CA-C-N 113.614 -1.63 . . . . 50.0 109.014 -176.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 25.8 ptm -62.98 -29.16 70.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.035 0.445 . . . . 50.0 110.657 -178.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 49.7 m -72.66 -17.73 61.63 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.891 0.33 . . . . 25.0 111.891 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 74.5 mt -95.19 -47.74 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.621 0 CA-C-O 121.07 0.462 . . . . 50.0 110.839 -177.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 33.2 m -74.81 -15.88 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.837 -0.62 . . . . 50.0 112.034 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -150.19 65.1 7.16 Favored Pre-proline 0 CA--C 1.541 0.627 0 N-CA-C 113.341 0.867 . . . . 50.0 113.341 -175.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -74.15 -5.46 17.01 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 117.543 -1.171 . . . . 50.0 111.528 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.77 -11.38 51.19 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.159 -0.473 . . . . 50.0 110.901 -178.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 60.12 47.44 9.48 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.82 0.848 . . . . 50.0 111.085 -177.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 89.1 mt -72.81 -26.46 61.51 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.997 -1.112 . . . . 50.0 107.997 175.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.01 18.25 61.49 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 114.907 -1.042 . . . . 50.0 110.927 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 13.9 m -149.18 158.06 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 109.713 -0.476 . . . . 50.0 109.713 -175.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 11.4 t -130.14 133.97 63.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.463 -0.569 . . . . 50.0 109.463 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.26 161.65 13.71 Favored 'General case' 0 CA--C 1.508 -0.66 0 N-CA-C 108.985 -0.746 . . . . 25.0 108.985 178.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -54.08 -41.24 68.01 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-O 121.787 0.804 . . . . 50.0 110.433 177.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -21.57 58.93 Favored 'General case' 0 C--N 1.316 -0.879 0 O-C-N 121.188 -0.945 . . . . 50.0 109.973 -175.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -75.8 -41.98 51.31 Favored 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 120.404 -0.518 . . . . 25.0 111.23 -177.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.8 -30.56 70.79 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 119.637 -0.825 . . . . 50.0 109.452 176.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 17.3 mm -64.81 -25.9 38.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 N-CA-C 109.663 -0.495 . . . . 50.0 109.663 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -63.15 -43.57 97.93 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 121.291 -0.881 . . . . 50.0 110.85 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -77.29 -23.44 51.09 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 119.022 -1.071 . . . . 50.0 111.355 177.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -29.96 67.54 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 106.871 -1.529 . . . . 50.0 106.871 179.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 41.2 t -63.17 -27.04 69.09 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 121.287 -0.883 . . . . 50.0 109.8 175.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 39.5 mmt-85 -75.66 -32.4 60.17 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-O 118.876 -0.583 . . . . 50.0 112.479 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.57 -30.81 59.79 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 108.941 -0.763 . . . . 50.0 108.941 176.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 95.8 m -63.33 -35.46 80.46 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-O 121.697 0.761 . . . . 25.0 109.166 175.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . 52.46 40.07 28.92 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 114.731 -1.122 . . . . 25.0 113.973 175.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -109.87 148.79 30.88 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.978 -0.749 . . . . 50.0 108.978 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 8.8 t -162.39 18.29 0.09 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.953 -0.567 . . . . 25.0 109.525 -177.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -65.62 145.05 56.53 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.791 1.034 . . . . 25.0 113.791 -176.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 60.1 p -125.41 -6.08 7.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.744 -1.117 . . . . 25.0 110.181 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -72.16 -31.67 66.16 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.59 -0.152 . . . . 25.0 110.59 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -52.43 -38.27 58.74 Favored 'General case' 0 C--O 1.212 -0.882 0 N-CA-C 110.315 -0.254 . . . . 50.0 110.315 177.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -55.39 -50.11 70.58 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.993 0.738 . . . . 50.0 112.993 -178.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 11.4 p -78.36 -32.9 17.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.124 -0.695 . . . . 50.0 109.124 -175.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 9.5 tpt -66.62 -39.12 88.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.529 0.68 . . . . 50.0 110.215 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -63.61 -36.22 83.1 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.697 -0.683 . . . . 25.0 110.405 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 57.7 p -61.89 -42.12 98.7 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 120.734 -0.386 . . . . 50.0 111.255 -178.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -64.66 -38.07 89.75 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 122.054 0.931 . . . . 50.0 110.07 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -69.32 -20.13 63.87 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.398 -0.819 . . . . 50.0 112.862 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 52.7 mt -81.25 -40.67 18.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 107.649 -1.241 . . . . 50.0 107.649 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.62 -31.63 24.13 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.849 -0.74 . . . . 50.0 111.654 -175.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -106.7 17.54 23.09 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 112.156 0.428 . . . . 25.0 112.156 -177.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -65.21 -8.71 38.22 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.75 -0.94 . . . . 50.0 110.75 173.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -80.64 -21.68 41.22 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 122.681 0.393 . . . . 25.0 110.021 175.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -129.82 -162.65 1.22 Allowed 'General case' 0 C--O 1.217 -0.651 0 CA-C-O 121.671 0.748 . . . . 50.0 110.69 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -120.21 11.71 11.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.217 -0.901 . . . . 50.0 108.727 178.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -157.59 173.35 16.99 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 107.117 -1.438 . . . . 50.0 107.117 -176.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -136.67 154.24 31.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 107.755 -1.202 . . . . 50.0 107.755 -176.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 40.6 p -102.33 160.67 14.33 Favored 'General case' 0 C--N 1.31 -1.135 0 O-C-N 120.869 -1.145 . . . . 25.0 109.021 173.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 74.3 mtm -59.75 -31.83 70.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.049 -0.978 . . . . 50.0 110.202 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -70.88 -42.66 69.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.312 0.577 . . . . 25.0 109.899 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -65.24 -45.72 83.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.272 -0.422 . . . . 50.0 111.889 -178.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.6 pp -71.15 -26.69 63.11 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.608 -0.837 . . . . 50.0 111.193 -177.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -71.75 -9.91 58.98 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.802 -0.561 . . . . 50.0 111.535 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . 0.403 ' HG2' ' HG2' ' A' ' 851' ' ' GLU . 6.0 ptm180 -71.06 -27.98 64.03 Favored 'General case' 0 C--O 1.221 -0.434 0 O-C-N 121.343 -0.848 . . . . 50.0 109.069 179.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . 0.403 ' HG2' ' HG2' ' A' ' 850' ' ' ARG . 13.4 mm-40 -83.8 -40.71 18.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.269 -0.878 . . . . 50.0 110.222 -176.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.81 82.03 65.58 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.372 -0.831 . . . . 50.0 109.409 -178.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -62.27 -26.85 77.58 Favored 'Trans proline' 0 CA--C 1.558 1.722 0 N-CA-C 118.635 2.514 . . . . 25.0 118.635 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -77.54 -162.62 0.18 Allowed 'Trans proline' 0 C--N 1.362 1.278 1 C-N-CA 113.249 -4.034 . . . . 50.0 111.953 177.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -55.51 -15.97 3.34 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 114.883 1.438 . . . . 50.0 114.883 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 22.4 mm100 -51.36 -38.58 53.99 Favored 'General case' 0 C--O 1.218 -0.556 0 O-C-N 121.867 -0.52 . . . . 50.0 111.485 174.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -66.31 -37.97 86.65 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 122.047 -0.408 . . . . 25.0 111.406 177.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -68.05 -38.85 82.94 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.144 -0.688 . . . . 50.0 109.144 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -65.62 -31.03 71.83 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.195 -0.669 . . . . 50.0 109.195 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 59.2 m -72.8 -42.66 63.67 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 109.887 -0.412 . . . . 50.0 109.887 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 23.8 mt -62.1 -38.49 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 109.572 -0.529 . . . . 50.0 109.572 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -63.84 -17.91 63.62 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.557 0.577 . . . . 25.0 112.557 177.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -109.01 -22.72 12.03 Favored 'General case' 0 C--O 1.219 -0.553 0 O-C-N 121.497 -0.752 . . . . 50.0 112.843 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 6.9 ttm -68.4 164.68 20.4 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-O 121.104 0.478 . . . . 50.0 111.356 -177.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -95.4 145.68 29.97 Favored Pre-proline 0 N--CA 1.44 -0.967 0 N-CA-C 107.023 -1.473 . . . . 25.0 107.023 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -75.85 154.58 38.66 Favored 'Trans proline' 0 CA--C 1.52 -0.185 0 CA-C-N 118.665 0.559 . . . . 50.0 112.331 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -112.38 131.4 55.56 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.188 0.518 . . . . 50.0 110.768 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 5.0 t -137.28 40.97 2.45 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 122.402 1.096 . . . . 25.0 108.313 -177.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -90.35 -170.48 43.7 Favored Glycine 0 C--O 1.227 -0.329 0 CA-C-N 115.38 -0.827 . . . . 50.0 114.085 -177.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -68.99 -30.31 26.06 Favored 'Trans proline' 0 C--O 1.217 -0.536 0 CA-C-N 118.319 1.059 . . . . 50.0 114.73 -178.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -98.95 28.68 4.22 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.77 0.795 . . . . 50.0 109.305 -177.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 59.7 p -77.19 152.35 34.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.962 0.887 . . . . 50.0 113.368 -175.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 13.7 m -136.61 161.75 60.12 Favored Pre-proline 0 C--N 1.318 -0.8 0 N-CA-C 105.227 -2.138 . . . . 50.0 105.227 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -58.71 -17.38 35.48 Favored 'Trans proline' 0 C--N 1.353 0.77 0 N-CA-C 115.733 1.397 . . . . 50.0 115.733 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -114.14 32.5 5.92 Favored Glycine 0 C--O 1.23 -0.128 0 C-N-CA 121.742 -0.266 . . . . 50.0 113.107 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -93.34 139.84 30.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.295 0.569 . . . . 25.0 112.152 -177.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 76.6 mt -136.39 141.88 43.7 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.401 -0.963 . . . . 50.0 108.401 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -89.9 104.39 16.96 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 106.418 -1.697 . . . . 50.0 106.418 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -78.61 -33.37 47.45 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.403 -0.817 . . . . 50.0 108.993 -177.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 11.1 ttp -62.78 -30.2 71.28 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.871 -0.788 . . . . 50.0 108.871 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 8.1 t -81.97 -24.36 35.54 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.075 -0.966 . . . . 50.0 112.646 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -56.76 -41.06 76.94 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 122.094 -0.379 . . . . 50.0 111.725 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 22.0 t -55.04 -19.99 8.37 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.723 1.008 . . . . 50.0 113.723 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 31.1 p -108.74 -17.63 13.9 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 114.059 1.133 . . . . 25.0 114.059 -177.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -156.93 142.43 17.49 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 -177.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -141.33 146.44 36.72 Favored 'General case' 0 C--O 1.222 -0.392 0 N-CA-C 107.57 -1.27 . . . . 50.0 107.57 177.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -111.83 -9.98 14.04 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.146 0.498 . . . . 50.0 111.141 178.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -85.05 26.72 5.32 Favored Glycine 0 C--O 1.221 -0.705 0 CA-C-N 116.223 -0.444 . . . . 25.0 113.279 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -84.42 -15.19 47.1 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.095 -1.446 . . . . 50.0 107.095 177.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 61.4 p -122.36 56.59 1.11 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.298 -0.865 . . . . 25.0 108.847 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -94.04 14.09 20.92 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.76 -0.654 . . . . 50.0 111.934 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 92.1 mt . . . . . 0 C--O 1.252 1.219 0 CA-C-O 117.792 -1.099 . . . . 50.0 110.983 -178.763 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.292 0 CA-C-O 118.51 -1.161 . . . . 25.0 110.925 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 36.5 m -53.5 117.45 3.1 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 117.941 0.871 . . . . 25.0 112.573 -176.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 47.6 m -101.07 82.62 2.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.677 -0.692 . . . . 25.0 112.831 -178.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -59.39 141.6 16.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 N-CA-C 109.045 -0.724 . . . . 50.0 109.045 174.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 28.6 m -81.68 165.39 21.06 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.779 -0.452 . . . . 50.0 109.779 177.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -64.47 -33.53 76.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 120.936 -1.102 . . . . 75.0 108.925 177.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -74.66 -24.22 58.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.498 -0.319 . . . . 50.0 110.661 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.43 -57.36 3.99 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.438 0.637 . . . . 50.0 110.092 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 24.8 ptp -57.59 -24.29 55.48 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.595 -0.691 . . . . 50.0 110.533 177.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.05 -56.17 21.7 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 110.221 -0.288 . . . . 50.0 110.221 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.92 -34.55 73.62 Favored 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 109.965 -0.383 . . . . 50.0 109.965 -177.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -59.73 -49.07 79.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.519 0.676 . . . . 50.0 110.131 176.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -67.4 -44.09 79.68 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 116.332 -0.395 . . . . 50.0 110.002 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.0 89.49 Favored 'General case' 0 C--O 1.209 -1.05 0 CA-C-O 119.385 -0.341 . . . . 25.0 111.324 -177.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 51.1 m -67.57 -44.36 78.39 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 118.406 0.548 . . . . 25.0 111.19 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -41.44 97.0 Favored 'General case' 0 C--O 1.206 -1.201 0 N-CA-C 108.591 -0.892 . . . . 50.0 108.591 176.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.73 -31.58 69.64 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 112.817 0.673 . . . . 50.0 112.817 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -68.13 -32.72 73.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.854 -0.529 . . . . 50.0 110.178 -178.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -91.1 -38.69 12.6 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 109.1 -0.704 . . . . 50.0 109.1 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -89.84 69.57 7.56 Favored 'General case' 0 CA--C 1.498 -1.019 0 CA-C-O 122.506 1.146 . . . . 50.0 109.657 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -78.74 -0.87 31.99 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.357 -1.292 . . . . 50.0 110.766 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -92.27 -11.52 35.03 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.657 -0.868 . . . . 50.0 108.657 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 54.02 38.14 28.31 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.243 1.017 . . . . 25.0 111.159 -178.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 33.8 t -70.63 -23.51 62.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 122.298 1.046 . . . . 25.0 109.541 177.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 88.52 0.61 81.91 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 109.663 -1.375 . . . . 50.0 109.663 -178.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 5.9 p -148.16 159.8 43.57 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 108.557 -0.905 . . . . 25.0 108.557 -176.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 766' ' ' LEU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 16.0 mt -141.76 172.72 12.3 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 108.401 -0.962 . . . . 50.0 108.401 177.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -78.04 172.7 55.21 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.268 -0.733 . . . . 50.0 111.268 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -66.88 -30.13 40.56 Favored 'Trans proline' 0 C--O 1.224 -0.201 0 CA-C-N 118.636 1.218 . . . . 50.0 112.512 -177.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -82.28 -36.99 26.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.169 0.509 . . . . 50.0 111.249 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.03 -54.33 39.89 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 121.193 0.52 . . . . 50.0 110.218 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 771' ' ' PHE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.4 OUTLIER -60.79 -30.75 70.23 Favored 'General case' 0 C--O 1.214 -0.804 0 N-CA-C 113.071 0.767 . . . . 50.0 113.071 174.865 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -64.16 -44.66 91.39 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 118.829 0.741 . . . . 50.0 109.633 177.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -74.17 -23.55 59.25 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.6 0.714 . . . . 25.0 111.843 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 42.1 t -63.35 -35.96 82.12 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.482 -0.933 . . . . 50.0 108.482 175.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 17.1 mt -65.73 -32.91 74.73 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 120.885 0.374 . . . . 75.0 110.845 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 65.3 mt -59.18 -33.55 50.97 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 N-CA-C 109.581 -0.526 . . . . 50.0 109.581 -177.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 16.4 m -65.2 -18.25 65.16 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.608 0.596 . . . . 50.0 112.608 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 22.8 mt -94.7 -18.05 21.65 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-O 121.725 0.774 . . . . 50.0 110.404 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 115.47 35.48 1.29 Allowed Glycine 0 C--N 1.329 0.171 0 CA-C-N 115.121 -0.945 . . . . 50.0 114.93 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -101.24 134.2 44.65 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.764 -0.828 . . . . 50.0 108.764 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -85.08 48.74 1.61 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.913 0.885 . . . . 50.0 110.86 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 41.5 mt -125.11 77.74 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 107.971 -1.122 . . . . 50.0 107.971 -174.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -136.47 68.59 0.52 Allowed Glycine 0 C--O 1.215 -1.047 0 N-CA-C 116.196 1.238 . . . . 50.0 116.196 -175.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 61.7 t30 67.4 16.12 9.98 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-O 122.15 0.976 . . . . 25.0 110.864 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -82.99 151.19 63.22 Favored Pre-proline 0 C--N 1.318 -0.791 0 N-CA-C 106.767 -1.568 . . . . 50.0 106.767 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.6 -20.46 30.82 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 115.361 -2.626 . . . . 50.0 112.734 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -79.9 -37.7 34.14 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.995 -1.113 . . . . 50.0 107.995 178.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -63.99 -43.91 96.71 Favored Glycine 0 C--O 1.206 -1.601 0 N-CA-C 108.704 -1.758 . . . . 50.0 108.704 178.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -60.34 -34.81 74.36 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.55 -0.971 . . . . 50.0 112.096 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.5 -36.8 84.98 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.762 -0.199 . . . . 25.0 111.35 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -88.76 -28.5 20.45 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.474 0.654 . . . . 50.0 110.956 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -66.87 -34.5 77.93 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.338 -0.986 . . . . 50.0 108.338 178.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -60.37 -29.1 68.71 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.464 0.649 . . . . 25.0 110.796 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -79.78 -39.79 30.14 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.025 -1.102 . . . . 50.0 108.025 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 58.4 mt -63.72 -49.95 79.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 114.831 -1.077 . . . . 50.0 110.584 -176.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 5.6 ptt? -60.73 -24.77 65.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.035 0.445 . . . . 50.0 111.99 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 50.8 m -78.6 -18.39 54.64 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.987 0.423 . . . . 25.0 111.453 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 63.8 mt -94.23 -49.56 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.718 0 CA-C-O 121.294 0.569 . . . . 50.0 110.29 -178.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 22.0 m -76.4 -11.94 14.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.724 -0.671 . . . . 50.0 112.731 -176.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -153.04 68.71 6.75 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.565 -0.743 . . . . 50.0 111.705 -177.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -74.43 -12.73 22.83 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 116.848 -1.635 . . . . 50.0 112.133 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.85 -5.49 59.23 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 120.97 0.414 . . . . 50.0 110.918 -177.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 57.76 45.1 19.32 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 121.929 0.871 . . . . 50.0 112.427 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 85.1 mt -70.13 -23.41 63.01 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.406 -1.27 . . . . 50.0 108.695 176.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 84.52 18.43 62.12 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.324 -0.853 . . . . 50.0 111.396 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 11.1 m -147.07 159.42 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 109.331 -0.618 . . . . 50.0 109.331 -175.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 16.8 t -131.71 135.23 59.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 123.265 0.626 . . . . 50.0 109.442 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 9.0 t -100.56 158.92 15.57 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.522 -0.547 . . . . 25.0 109.522 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -50.52 -45.92 56.94 Favored 'General case' 0 C--O 1.22 -0.447 0 CA-C-O 121.611 0.719 . . . . 50.0 111.421 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -22.11 62.12 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.037 -0.665 . . . . 50.0 110.34 -175.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -75.79 -40.09 55.76 Favored 'General case' 0 C--O 1.217 -0.653 0 C-N-CA 119.728 -0.789 . . . . 25.0 111.491 -177.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.427 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.0 OUTLIER -68.66 -31.87 71.31 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.114 -0.991 . . . . 50.0 110.012 177.43 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 18.1 mm -63.3 -27.92 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-O 121.428 0.633 . . . . 50.0 109.816 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -61.08 -42.51 98.63 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 121.523 -0.735 . . . . 50.0 110.817 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 815' ' ' PHE . . . . . 0.427 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.1 p90 -83.49 -23.44 32.16 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 119.345 -0.942 . . . . 50.0 112.267 179.207 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -63.4 -31.24 72.34 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 107.885 -1.154 . . . . 50.0 107.885 -178.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 16.7 t -63.1 -29.51 70.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.046 -0.524 . . . . 50.0 111.529 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -75.24 -31.42 60.82 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 120.923 0.392 . . . . 50.0 110.092 -178.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -76.78 -34.21 58.01 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.395 -0.82 . . . . 50.0 109.105 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 22.4 m -72.74 -17.86 61.56 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-O 121.932 0.873 . . . . 25.0 110.072 175.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . 56.11 38.4 29.85 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 114.886 -1.052 . . . . 25.0 112.628 178.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 48.42 44.89 20.67 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 119.134 3.013 . . . . 50.0 119.134 175.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 20.6 p -78.01 128.68 34.25 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.476 -0.784 . . . . 25.0 110.448 175.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -107.43 135.71 48.45 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.016 0.747 . . . . 25.0 113.016 -175.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 9.9 p -71.5 -21.93 61.86 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 114.243 1.201 . . . . 25.0 114.243 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -67.93 -29.23 68.24 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 120.687 0.28 . . . . 25.0 110.647 -178.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.56 -35.59 81.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.15 0.5 . . . . 50.0 111.124 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -60.37 -47.24 86.94 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.527 0.68 . . . . 50.0 112.797 -176.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 12.5 p -73.14 -33.83 43.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.92 -0.582 . . . . 50.0 109.58 -176.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -42.08 89.16 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 109.263 -0.643 . . . . 50.0 109.263 177.081 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.99 96.09 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.091 -0.337 . . . . 25.0 110.091 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 8.6 t -59.91 -47.52 85.42 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 121.011 -0.276 . . . . 50.0 110.929 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -62.14 -41.44 98.27 Favored 'General case' 0 C--O 1.202 -1.439 0 C-N-CA 119.962 -0.695 . . . . 50.0 109.368 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -57.33 -26.03 60.3 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.914 0.709 . . . . 50.0 112.914 -176.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 46.3 mt -74.82 -45.17 44.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.786 -0.45 . . . . 50.0 109.786 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.93 -26.03 27.49 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.757 0.789 . . . . 50.0 112.148 -176.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -85.07 -12.63 52.57 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.864 -0.607 . . . . 25.0 112.615 -176.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -56.54 -22.88 40.7 Favored Glycine 0 CA--C 1.526 0.729 0 O-C-N 123.817 0.698 . . . . 50.0 114.292 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.49 -20.94 64.63 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 120.807 0.337 . . . . 25.0 111.045 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -132.6 -156.94 0.78 Allowed 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 108.08 -1.081 . . . . 50.0 108.08 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -125.87 18.01 7.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.359 0.6 . . . . 50.0 109.643 174.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -160.15 177.57 10.55 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 106.94 -1.504 . . . . 50.0 106.94 -178.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -134.63 151.35 31.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 107.871 -1.159 . . . . 50.0 107.871 -177.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 67.3 p -98.59 159.96 14.6 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 119.822 -0.751 . . . . 25.0 109.822 173.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 71.7 mtm -57.85 -31.84 67.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.765 -1.107 . . . . 50.0 111.906 176.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -73.83 -40.73 63.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.526 0.679 . . . . 25.0 110.73 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -64.88 -47.37 78.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.969 -0.559 . . . . 50.0 111.27 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.9 pp -65.92 -26.4 67.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.399 -0.813 . . . . 50.0 111.077 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -74.85 -11.42 60.14 Favored 'General case' 0 C--O 1.221 -0.405 0 O-C-N 121.831 -0.543 . . . . 50.0 110.714 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.53 -26.89 61.92 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 109.115 -0.698 . . . . 50.0 109.115 176.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -86.19 -43.45 12.99 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.931 -0.577 . . . . 50.0 110.661 -176.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.69 79.66 71.43 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.619 -0.719 . . . . 50.0 109.322 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -59.7 -27.39 84.83 Favored 'Trans proline' 0 CA--C 1.551 1.327 0 N-CA-C 119.329 2.781 . . . . 25.0 119.329 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -75.71 -165.03 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 113.939 -3.574 . . . . 50.0 112.534 177.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -52.33 -16.2 0.8 Allowed 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.616 1.339 . . . . 50.0 114.616 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -54.07 -37.36 64.12 Favored 'General case' 0 C--O 1.214 -0.801 0 O-C-N 121.494 -0.754 . . . . 50.0 110.813 174.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.37 -38.67 92.07 Favored 'General case' 0 C--O 1.209 -1.056 0 N-CA-C 110.383 -0.228 . . . . 25.0 110.383 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -69.53 -37.03 76.94 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.325 0.583 . . . . 50.0 109.774 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -67.27 -32.78 74.02 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.306 -0.998 . . . . 50.0 108.306 176.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 60.3 m -72.79 -42.26 64.11 Favored 'General case' 0 C--O 1.207 -1.164 0 N-CA-C 109.878 -0.415 . . . . 50.0 109.878 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 20.0 mt -62.07 -41.82 92.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.588 -0.893 . . . . 50.0 108.588 178.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -62.75 -27.19 69.11 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 112.159 0.429 . . . . 25.0 112.159 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -99.22 -18.23 17.73 Favored 'General case' 0 C--O 1.209 -1.05 0 N-CA-C 112.877 0.695 . . . . 50.0 112.877 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 9.3 ttm -75.28 166.3 23.84 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 118.498 0.59 . . . . 50.0 111.264 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -96.65 145.71 30.05 Favored Pre-proline 0 C--N 1.321 -0.658 0 N-CA-C 107.557 -1.275 . . . . 25.0 107.557 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -75.7 148.94 33.26 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 120.655 0.904 . . . . 50.0 112.853 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -112.55 123.08 49.49 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 113.782 1.03 . . . . 50.0 113.782 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 70.5 p -126.1 43.75 3.01 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 109.303 -0.628 . . . . 25.0 109.303 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -87.53 -169.82 45.87 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 121.347 -0.454 . . . . 50.0 113.497 -177.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -71.61 -21.96 24.93 Favored 'Trans proline' 0 C--N 1.348 0.513 0 CA-C-N 118.757 1.279 . . . . 50.0 114.876 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -103.73 21.6 15.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 122.08 0.943 . . . . 50.0 109.075 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 25.2 p -73.5 149.94 41.93 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 122.606 1.193 . . . . 50.0 113.566 -172.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 17.0 m -132.39 161.92 60.17 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 103.319 -2.845 . . . . 50.0 103.319 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -57.28 -23.0 51.97 Favored 'Trans proline' 0 C--N 1.35 0.611 0 N-CA-C 115.945 1.479 . . . . 50.0 115.945 -177.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -109.03 33.95 5.84 Favored Glycine 0 C--O 1.222 -0.629 0 C-N-CA 121.532 -0.366 . . . . 50.0 113.618 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -91.31 138.49 31.55 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 113.135 0.791 . . . . 25.0 113.135 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 66.1 mt -135.88 138.6 42.62 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.434 -0.951 . . . . 50.0 108.434 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -89.05 101.56 14.21 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 106.6 -1.629 . . . . 50.0 106.6 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -71.56 -36.03 70.81 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 114.637 -1.165 . . . . 50.0 109.359 -177.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.46 -26.72 67.33 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.219 0.533 . . . . 50.0 110.096 -177.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 4.6 t -84.8 -16.0 42.95 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.722 0.638 . . . . 50.0 112.722 -178.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -57.68 -38.38 75.05 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.838 0.351 . . . . 50.0 111.271 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.13 -18.68 3.97 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 114.434 1.272 . . . . 50.0 114.434 174.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 37.0 p -109.42 -14.17 14.47 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 114.605 1.335 . . . . 25.0 114.605 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -158.49 150.42 21.42 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.732 1.012 . . . . 25.0 113.732 -176.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -148.11 158.93 44.35 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 105.047 -2.205 . . . . 50.0 105.047 177.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -130.84 -23.48 2.52 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.044 0.757 . . . . 50.0 113.044 178.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -97.04 47.36 1.64 Allowed Glycine 0 C--O 1.222 -0.614 0 N-CA-C 114.13 0.412 . . . . 25.0 114.13 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -68.31 137.67 54.85 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 106.737 -1.579 . . . . 50.0 106.737 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 47.0 m -158.31 43.11 0.28 Allowed 'General case' 0 N--CA 1.471 0.591 0 O-C-N 122.011 -0.43 . . . . 25.0 111.55 -175.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -112.65 33.2 5.11 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.757 0.789 . . . . 50.0 109.558 -176.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 69.3 tp . . . . . 0 C--O 1.25 1.087 0 CA-C-N 114.621 -1.172 . . . . 50.0 109.863 -179.741 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.494 -1.245 0 N-CA-C 112.471 -0.251 . . . . 25.0 112.471 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 66.5 m -106.81 175.84 5.37 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 108.143 -1.058 . . . . 25.0 108.143 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 68.4 p -141.3 157.9 44.6 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 103.727 -2.694 . . . . 25.0 103.727 175.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 2.0 mt -62.27 130.49 26.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.695 0.76 . . . . 50.0 110.324 -177.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 78.3 p -87.12 172.21 10.12 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.16 -1.422 . . . . 50.0 107.16 174.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -65.74 -28.58 69.15 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.475 -0.89 . . . . 50.0 109.392 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -76.59 -31.96 57.8 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 115.355 -0.839 . . . . 50.0 111.35 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.52 -55.89 13.43 Favored 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 108.718 -0.845 . . . . 50.0 108.718 177.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 21.4 ptp -59.66 -23.95 63.49 Favored 'General case' 0 C--O 1.21 -1.015 0 C-N-CA 119.548 -0.861 . . . . 50.0 111.318 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.91 -55.69 23.81 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.939 -0.763 . . . . 50.0 108.939 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.01 -34.73 75.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.888 0.313 . . . . 50.0 110.694 -178.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 751' ' ' PHE . . . . . 0.434 ' CZ ' ' HE3' ' A' ' 816' ' ' MET . 26.4 m-85 -59.3 -50.23 74.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.053 -0.405 . . . . 50.0 110.666 175.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -66.71 -41.74 87.48 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 109.456 -0.572 . . . . 50.0 109.456 -178.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.87 -39.63 90.9 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 112.375 0.509 . . . . 25.0 112.375 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 48.8 m -66.95 -43.53 82.9 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 118.4 0.546 . . . . 25.0 109.958 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -41.88 97.4 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 108.569 -0.9 . . . . 50.0 108.569 177.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.0 -33.91 76.6 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.946 0.721 . . . . 50.0 112.946 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -69.4 -37.06 77.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.429 0.633 . . . . 50.0 110.266 -178.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -84.81 -35.92 22.0 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 108.472 -0.936 . . . . 50.0 108.472 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -94.33 70.84 3.77 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 122.616 1.198 . . . . 50.0 109.453 -178.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 20.8 mtm105 -80.69 1.05 31.73 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.302 -1.317 . . . . 50.0 110.361 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -94.89 -10.86 29.94 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.201 -1.407 . . . . 50.0 107.201 177.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 51.43 39.04 23.53 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.745 1.218 . . . . 25.0 112.353 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 15.7 m -71.99 -23.12 61.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.568 -0.742 . . . . 25.0 109.745 177.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 90.93 2.05 72.27 Favored Glycine 0 C--O 1.239 0.428 0 N-CA-C 109.136 -1.586 . . . . 50.0 109.136 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -150.65 156.18 40.83 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 123.702 0.801 . . . . 25.0 108.876 -175.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 766' ' ' LEU . . . . . 0.436 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 22.6 mt -137.36 174.55 10.48 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 107.4 -1.333 . . . . 50.0 107.4 176.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -84.5 -178.66 51.38 Favored Glycine 0 C--O 1.241 0.585 0 N-CA-C 111.331 -0.707 . . . . 50.0 111.331 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.4 -27.79 22.97 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 121.623 1.548 . . . . 50.0 114.096 -175.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -85.83 -37.74 18.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.052 0.453 . . . . 50.0 110.007 -178.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -66.78 -50.76 61.65 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 116.01 -0.541 . . . . 50.0 111.077 -178.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 771' ' ' PHE . . . . . 0.436 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -62.3 -32.53 73.28 Favored 'General case' 0 C--O 1.213 -0.852 0 C-N-CA 120.222 -0.591 . . . . 50.0 112.096 173.769 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -62.67 -44.62 95.8 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 118.682 0.674 . . . . 50.0 110.097 177.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -73.63 -24.88 60.08 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.073 0.463 . . . . 25.0 110.322 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 45.4 t -62.93 -35.3 79.63 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.537 -0.542 . . . . 50.0 109.537 178.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 14.5 mt -66.75 -31.22 71.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.691 -0.686 . . . . 75.0 111.964 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 66.3 mt -59.42 -34.61 54.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 O-C-N 121.645 -0.659 . . . . 50.0 109.928 -177.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.41 -21.66 64.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.986 -0.552 . . . . 50.0 112.118 178.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 14.9 mt -94.16 -16.36 23.79 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 123.492 0.495 . . . . 50.0 110.906 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 117.6 30.65 1.8 Allowed Glycine 0 C--O 1.218 -0.845 0 CA-C-N 116.052 -0.522 . . . . 50.0 114.353 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -99.36 131.83 45.11 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 109.461 -0.57 . . . . 50.0 109.461 -177.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -83.97 46.9 1.24 Allowed 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 122.341 1.067 . . . . 50.0 110.588 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 29.6 mt -118.56 71.23 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 N-CA-C 107.498 -1.297 . . . . 50.0 107.498 -175.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -97.88 34.98 4.81 Favored Glycine 0 C--O 1.222 -0.622 0 CA-C-N 114.639 -1.164 . . . . 50.0 114.993 -172.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 37.9 t30 64.63 15.1 9.48 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.317 1.047 . . . . 25.0 111.31 -176.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -75.34 160.99 78.62 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 105.303 -2.11 . . . . 50.0 105.303 176.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.52 -19.6 42.42 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 115.921 -2.253 . . . . 50.0 114.016 -174.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -78.83 -38.36 38.3 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 108.01 -1.108 . . . . 50.0 108.01 177.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -66.78 -39.37 93.55 Favored Glycine 0 C--O 1.207 -1.554 0 N-CA-C 109.023 -1.631 . . . . 50.0 109.023 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.51 -35.77 78.63 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 121.636 -0.92 . . . . 50.0 111.831 177.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.21 -38.56 91.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.742 0.306 . . . . 25.0 111.263 -179.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -87.13 -28.44 22.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.242 0.544 . . . . 50.0 110.729 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -31.61 72.47 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.402 -0.962 . . . . 50.0 108.402 177.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -60.33 -28.7 68.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.654 0.74 . . . . 25.0 110.753 177.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -77.6 -42.28 35.62 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 108.312 -0.995 . . . . 50.0 108.312 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 68.3 mt -64.15 -49.86 79.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 114.079 -1.419 . . . . 50.0 110.49 -174.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 16.3 ptt? -61.33 -25.15 66.95 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 116.579 -0.282 . . . . 50.0 111.616 -178.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 49.9 m -76.83 -19.61 57.33 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 116.561 -0.29 . . . . 25.0 111.539 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 77.8 mt -92.45 -49.34 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-O 121.767 0.794 . . . . 50.0 109.718 -178.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 18.8 m -76.18 -13.21 14.73 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 CA-C-N 115.175 -0.92 . . . . 50.0 112.888 -176.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -154.14 68.15 5.91 Favored Pre-proline 0 C--O 1.25 1.094 0 CA-C-N 115.306 -0.861 . . . . 50.0 112.125 -175.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -72.98 -12.89 26.24 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 117.624 -1.117 . . . . 50.0 111.75 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.17 -5.3 59.34 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 110.475 -0.194 . . . . 50.0 110.475 -178.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 57.92 42.16 23.43 Favored 'General case' 0 C--O 1.219 -0.509 0 O-C-N 124.597 1.185 . . . . 50.0 111.648 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 83.5 mt -69.17 -25.94 64.6 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.808 -1.087 . . . . 50.0 109.806 177.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 84.31 22.08 55.2 Favored Glycine 0 C--O 1.224 -0.514 0 N-CA-C 111.135 -0.786 . . . . 50.0 111.135 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 5.6 m -146.0 155.42 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 109.145 -0.687 . . . . 50.0 109.145 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 14.0 t -132.07 133.25 60.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.41 -0.814 . . . . 50.0 110.084 -177.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.38 160.66 14.2 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 109.027 -0.731 . . . . 25.0 109.027 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -52.26 -42.95 64.09 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.41 0.624 . . . . 50.0 110.862 177.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -23.23 60.3 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.722 -0.611 . . . . 50.0 109.565 -174.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -73.96 -42.47 60.47 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 119.602 -0.839 . . . . 25.0 111.549 -176.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.414 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.4 p90 -68.27 -30.31 69.3 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 119.198 -1.001 . . . . 50.0 109.919 179.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 16.3 mm -62.15 -27.22 42.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.393 0.616 . . . . 50.0 110.767 177.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -62.87 -41.11 99.26 Favored 'General case' 0 C--N 1.319 -0.74 0 O-C-N 121.749 -0.595 . . . . 50.0 110.768 -178.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 815' ' ' PHE . . . . . 0.414 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 5.8 p90 -84.52 -24.67 29.25 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 119.352 -0.939 . . . . 50.0 112.062 178.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 816' ' ' MET . . . . . 0.434 ' HE3' ' CZ ' ' A' ' 751' ' ' PHE . 0.8 OUTLIER -62.71 -29.67 70.83 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 108.788 -0.819 . . . . 50.0 108.788 -178.219 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 32.6 t -61.94 -21.91 65.18 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.274 -0.875 . . . . 50.0 112.364 177.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -90.99 -23.77 20.29 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-O 121.163 0.506 . . . . 50.0 111.945 -178.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -80.42 -36.46 33.67 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.226 0.536 . . . . 50.0 110.275 -178.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 30.8 p -90.25 13.2 15.91 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.656 0.741 . . . . 25.0 110.942 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -57.44 -28.67 63.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.499 -1.228 . . . . 25.0 112.468 -178.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -138.14 148.1 44.58 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.23 -0.655 . . . . 50.0 109.23 177.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 4.1 m -160.57 143.62 13.28 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 107.607 -1.257 . . . . 25.0 107.607 -177.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -84.29 152.37 24.19 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 107.735 -1.209 . . . . 25.0 107.735 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 21.7 p -64.58 -28.66 69.78 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 113.237 0.829 . . . . 25.0 113.237 -175.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -77.58 -30.69 52.64 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.81 -0.811 . . . . 25.0 108.81 178.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -71.42 -32.03 67.92 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.613 -0.435 . . . . 50.0 110.099 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -55.14 -47.24 75.35 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.378 0.609 . . . . 50.0 111.117 178.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 14.5 p -76.26 -33.2 23.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.569 0.699 . . . . 50.0 110.105 -176.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 2.6 ttm -65.56 -43.11 90.87 Favored 'General case' 0 C--O 1.238 0.45 0 O-C-N 121.463 -0.773 . . . . 50.0 110.306 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -61.96 -37.31 84.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.088 -0.505 . . . . 25.0 109.737 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 27.0 m -63.05 -43.39 98.78 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.896 0.379 . . . . 50.0 110.079 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -66.6 -35.48 80.31 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 121.449 -0.782 . . . . 50.0 110.797 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -61.12 -27.73 68.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.304 -0.407 . . . . 50.0 111.469 -177.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 53.0 mt -72.84 -46.03 54.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.139 -0.689 . . . . 50.0 109.139 -178.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.8 -23.56 31.4 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.698 -0.801 . . . . 50.0 111.239 -173.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -107.66 16.51 23.62 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 112.531 0.567 . . . . 25.0 112.531 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -65.06 -25.04 70.69 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 108.668 -1.773 . . . . 50.0 108.668 173.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -69.37 -19.69 63.84 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.017 0.377 . . . . 25.0 112.017 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -131.47 -170.04 2.3 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-O 121.334 0.587 . . . . 50.0 109.677 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -111.09 14.52 21.88 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.956 -0.465 . . . . 50.0 110.857 174.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -160.13 178.19 9.92 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 115.976 -0.556 . . . . 50.0 109.563 -177.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -133.68 151.66 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 N-CA-C 108.921 -0.77 . . . . 50.0 108.921 -179.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 58.1 p -99.66 159.09 15.31 Favored 'General case' 0 C--N 1.314 -0.976 0 O-C-N 121.416 -0.803 . . . . 25.0 109.231 174.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 71.3 mtm -62.82 -29.95 71.11 Favored 'General case' 0 C--O 1.211 -0.968 0 CA-C-N 115.043 -0.981 . . . . 50.0 109.66 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -71.07 -41.97 70.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.892 0.377 . . . . 25.0 110.742 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -65.98 -50.84 62.9 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 122.018 -0.426 . . . . 50.0 111.024 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.6 pp -63.81 -22.02 66.71 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.155 -0.618 . . . . 50.0 112.444 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 67.4 mtt-85 -74.42 -15.14 60.92 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.307 -0.871 . . . . 50.0 112.187 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -78.24 -28.08 47.74 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 108.246 -1.02 . . . . 50.0 108.246 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -76.87 -46.4 24.71 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.453 -1.249 . . . . 50.0 110.617 -175.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.45 80.6 72.18 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 114.59 -1.186 . . . . 50.0 108.875 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -61.57 -23.59 76.73 Favored 'Trans proline' 0 CA--C 1.55 1.282 0 N-CA-C 119.196 2.729 . . . . 25.0 119.196 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -77.07 -167.29 0.45 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 C-N-CA 113.4 -3.933 . . . . 50.0 111.826 174.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -50.25 -17.12 0.4 Allowed 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 115.764 1.765 . . . . 50.0 115.764 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -54.54 -39.19 67.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.429 -0.794 . . . . 50.0 111.299 177.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -65.2 -38.05 89.23 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-O 120.803 0.335 . . . . 25.0 110.585 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -66.61 -39.58 88.42 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.669 0.747 . . . . 50.0 109.557 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -67.64 -31.29 71.21 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.492 -0.776 . . . . 50.0 109.467 177.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 56.0 m -71.2 -39.19 71.95 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 109.97 -0.382 . . . . 50.0 109.97 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 20.8 mt -63.63 -37.7 80.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.357 0.599 . . . . 50.0 110.459 178.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -69.08 -21.32 64.07 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.563 0.697 . . . . 25.0 110.612 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.35 -32.3 11.94 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 112.944 0.72 . . . . 50.0 112.944 -177.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 4.9 ttm -68.18 166.69 15.72 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-O 121.366 0.603 . . . . 50.0 111.782 -176.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -97.71 143.91 27.05 Favored Pre-proline 0 C--N 1.314 -0.947 0 N-CA-C 107.347 -1.353 . . . . 25.0 107.347 -178.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -73.76 148.01 40.68 Favored 'Trans proline' 0 C--O 1.232 0.183 0 CA-C-O 121.866 0.694 . . . . 50.0 112.028 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -108.53 131.7 54.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.416 -0.811 . . . . 50.0 111.535 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 5.2 t -136.69 41.27 2.54 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 122.128 0.966 . . . . 25.0 108.829 -178.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -90.94 -167.92 41.68 Favored Glycine 0 N--CA 1.461 0.311 0 CA-C-N 115.646 -0.706 . . . . 50.0 113.886 -177.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -68.6 -28.2 31.72 Favored 'Trans proline' 0 C--O 1.21 -0.899 0 CA-C-N 118.53 1.165 . . . . 50.0 113.936 -177.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -96.7 19.63 12.15 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 123.115 0.566 . . . . 50.0 109.55 -175.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 81.8 p -72.96 149.09 43.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.596 1.189 . . . . 50.0 113.837 -171.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 15.7 m -137.79 162.65 53.21 Favored Pre-proline 0 C--N 1.32 -0.703 0 N-CA-C 105.442 -2.058 . . . . 50.0 105.442 -178.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -60.44 0.98 0.58 Allowed 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 122.268 1.979 . . . . 50.0 116.975 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -137.03 35.49 2.08 Favored Glycine 0 C--O 1.223 -0.577 0 N-CA-C 111.506 -0.637 . . . . 50.0 111.506 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -93.99 138.08 32.49 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.335 0.588 . . . . 25.0 112.346 -177.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 87.1 mt -137.94 139.91 40.01 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 107.513 -1.291 . . . . 50.0 107.513 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -91.12 103.93 16.56 Favored 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 107.326 -1.361 . . . . 50.0 107.326 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -73.86 -31.58 63.23 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 115.438 -0.801 . . . . 50.0 110.076 -177.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 3.8 ttm -68.74 -28.8 67.14 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.362 1.077 . . . . 50.0 109.311 -178.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.3 t -82.97 -20.71 34.68 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.776 -1.102 . . . . 50.0 112.874 -176.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -56.52 -36.8 69.61 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.334 0.494 . . . . 50.0 112.334 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 32.9 t -55.09 -18.3 5.26 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 114.146 1.165 . . . . 50.0 114.146 174.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 30.8 p -100.98 -25.44 14.07 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 114.013 1.116 . . . . 25.0 114.013 -177.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -163.22 160.14 23.65 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.041 0.448 . . . . 25.0 112.093 -177.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -139.99 152.1 46.02 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 104.608 -2.368 . . . . 50.0 104.608 176.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -113.24 -16.35 12.55 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.593 0.96 . . . . 50.0 113.593 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -93.51 39.46 2.94 Favored Glycine 0 C--O 1.229 -0.169 0 C-N-CA 121.486 -0.388 . . . . 25.0 112.894 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -71.21 150.53 45.23 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.762 -1.199 . . . . 50.0 107.762 178.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 20.0 m -91.74 -24.12 19.55 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 111.797 0.295 . . . . 25.0 111.797 -177.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 50.47 47.28 24.3 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-O 122.479 1.133 . . . . 50.0 109.172 -176.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 45.1 tp . . . . . 0 C--O 1.243 0.725 0 CA-C-N 114.005 -1.452 . . . . 50.0 111.948 -177.444 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 CA-C-O 118.856 -0.969 . . . . 25.0 111.217 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 3.4 m -63.47 141.87 58.61 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.138 1.469 . . . . 25.0 110.533 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 15.8 m -81.14 27.71 0.39 Allowed 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.537 0.684 . . . . 25.0 112.371 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 3.2 mt -71.27 128.32 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 CA-C-O 122.421 1.105 . . . . 50.0 111.762 -178.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 84.4 p -90.28 173.58 8.06 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.387 -1.278 . . . . 50.0 107.568 174.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -64.5 -33.66 76.4 Favored 'General case' 0 C--N 1.316 -0.859 0 O-C-N 121.017 -1.052 . . . . 50.0 110.641 177.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -76.86 -25.92 53.68 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 119.508 -0.282 . . . . 50.0 110.688 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.79 -58.05 5.84 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 118.782 0.719 . . . . 50.0 110.391 176.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 21.6 ptp -57.89 -26.82 62.67 Favored 'General case' 0 C--O 1.218 -0.596 0 C-N-CA 119.965 -0.694 . . . . 50.0 111.251 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -53.78 49.88 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.751 -0.659 . . . . 50.0 109.914 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -73.79 -30.07 62.54 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 122.414 -0.179 . . . . 50.0 110.676 -176.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -61.31 -49.62 76.28 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.149 -0.685 . . . . 50.0 109.149 174.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 3.6 mtp-105 -65.12 -42.69 93.67 Favored 'General case' 0 C--O 1.217 -0.63 0 N-CA-C 109.743 -0.466 . . . . 50.0 109.743 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -67.7 -38.69 84.0 Favored 'General case' 0 C--O 1.213 -0.824 0 N-CA-C 113.045 0.757 . . . . 25.0 113.045 -177.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 21.6 t -70.44 -42.61 71.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 119.107 0.867 . . . . 25.0 109.814 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -41.48 91.19 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 107.752 -1.203 . . . . 50.0 107.752 177.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.03 -31.49 69.16 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.747 0.647 . . . . 50.0 112.747 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -70.35 -35.84 73.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.52 -0.738 . . . . 50.0 110.411 -178.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -83.03 -37.79 23.45 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 108.583 -0.895 . . . . 50.0 108.583 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -91.42 70.69 6.0 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 122.584 1.183 . . . . 50.0 109.022 -178.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 69.9 mtm-85 -75.38 -5.43 44.85 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.475 -1.239 . . . . 50.0 110.644 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -95.54 -1.17 51.1 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.087 -1.079 . . . . 50.0 108.087 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 23.6 p80 42.34 36.96 0.82 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.58 1.552 . . . . 25.0 114.723 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 30.6 t -70.45 -25.06 63.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.722 0.772 . . . . 25.0 109.981 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 91.8 1.53 70.58 Favored Glycine 0 C--O 1.237 0.294 0 N-CA-C 109.028 -1.629 . . . . 50.0 109.028 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -148.3 153.84 39.2 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 123.372 0.669 . . . . 25.0 109.694 -176.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 766' ' ' LEU . . . . . 0.457 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 19.8 mt -139.21 172.94 12.1 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 108.231 -1.026 . . . . 50.0 108.231 177.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.58 173.95 54.85 Favored Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 110.207 -1.157 . . . . 50.0 110.207 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -67.61 -32.07 31.74 Favored 'Trans proline' 0 C--N 1.347 0.486 0 CA-C-N 117.482 0.641 . . . . 50.0 113.099 -176.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -79.1 -36.51 40.59 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 121.9 -0.5 . . . . 50.0 110.354 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -66.77 -52.14 47.65 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.241 -0.436 . . . . 50.0 110.422 -178.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 771' ' ' PHE . . . . . 0.457 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -60.72 -31.04 70.35 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 113.412 0.893 . . . . 50.0 113.412 173.865 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -64.5 -45.48 87.07 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 120.291 -0.563 . . . . 50.0 109.656 176.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.37 -25.64 62.46 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 120.865 0.364 . . . . 25.0 111.468 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 41.2 t -60.7 -37.23 80.98 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 109.225 -0.658 . . . . 50.0 109.225 177.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 13.0 mt -67.15 -32.99 74.48 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 115.728 -0.669 . . . . 75.0 111.777 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.1 mt -58.17 -33.99 48.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 O-C-N 121.781 -0.575 . . . . 50.0 110.675 -176.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 90.9 p -62.19 -21.2 64.91 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.177 0.436 . . . . 50.0 112.177 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 13.8 mt -93.71 -14.79 25.92 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-O 121.168 0.509 . . . . 50.0 111.503 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 115.61 30.29 2.24 Favored Glycine 0 C--O 1.22 -0.732 0 N-CA-C 114.468 0.547 . . . . 50.0 114.468 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -97.0 130.69 44.29 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 109.437 -0.579 . . . . 50.0 109.437 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -84.93 49.86 1.82 Allowed 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 122.268 1.032 . . . . 50.0 109.559 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 44.2 mt -126.21 74.93 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 107.515 -1.291 . . . . 50.0 107.515 -175.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -131.49 57.4 0.72 Allowed Glycine 0 N--CA 1.463 0.456 0 CA-C-N 116.185 -0.461 . . . . 50.0 113.945 -175.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 63.3 t30 69.0 16.18 8.76 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.535 1.134 . . . . 25.0 111.449 -178.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -76.09 152.93 84.46 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 105.415 -2.068 . . . . 50.0 105.415 175.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -69.57 -19.79 36.57 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 114.295 -3.337 . . . . 50.0 113.453 -176.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -81.74 -38.0 26.39 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 108.473 -0.936 . . . . 50.0 108.473 178.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -65.57 -42.39 95.63 Favored Glycine 0 C--O 1.201 -1.962 0 N-CA-C 110.862 -0.895 . . . . 50.0 110.862 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -61.29 -38.14 85.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.51 -0.994 . . . . 50.0 111.54 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -62.28 -36.78 83.13 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 116.627 -0.26 . . . . 25.0 110.309 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -89.41 -24.08 22.0 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 108.98 -0.748 . . . . 50.0 108.98 -178.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -72.13 -32.89 67.35 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 108.572 -0.899 . . . . 50.0 108.572 177.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -60.5 -30.79 69.94 Favored 'General case' 0 CA--C 1.561 1.394 0 O-C-N 123.211 0.319 . . . . 25.0 111.473 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.49 -40.2 30.3 Favored 'General case' 0 C--O 1.208 -1.096 0 N-CA-C 106.396 -1.705 . . . . 75.0 106.396 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 47.3 mt -59.61 -49.78 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.733 0 CA-C-N 115.269 -0.878 . . . . 50.0 109.568 -175.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 4.6 ptm -63.59 -27.36 69.19 Favored 'General case' 0 C--O 1.216 -0.667 0 C-N-CA 120.825 -0.35 . . . . 50.0 111.118 -177.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 42.1 m -75.97 -17.38 59.74 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 116.707 -0.224 . . . . 25.0 111.19 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 73.1 mt -96.23 -46.32 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-O 121.488 0.661 . . . . 50.0 110.346 -177.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 27.5 m -75.78 -15.81 15.45 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 CA-C-N 115.742 -0.663 . . . . 50.0 112.146 -177.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -150.63 65.2 6.91 Favored Pre-proline 0 CA--C 1.55 0.968 0 CA-C-O 121.817 0.817 . . . . 50.0 113.161 -176.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -71.91 -6.82 19.89 Favored 'Trans proline' 0 CA--C 1.534 0.494 0 C-N-CA 118.021 -0.852 . . . . 50.0 111.964 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.22 -11.42 43.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 50.0 110.844 -178.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? 57.76 50.01 11.33 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 124.295 0.997 . . . . 50.0 110.877 -176.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 86.8 mt -72.52 -26.24 61.69 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.227 -1.397 . . . . 50.0 107.227 174.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 86.69 17.83 59.36 Favored Glycine 0 C--O 1.223 -0.559 0 N-CA-C 110.322 -1.111 . . . . 50.0 110.322 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 11.1 m -148.91 156.98 7.36 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 CA-C-O 121.484 0.659 . . . . 50.0 109.674 -175.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 16.7 t -129.64 132.38 66.19 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.528 0 CA-C-N 115.528 -0.76 . . . . 50.0 110.106 -177.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -97.42 158.57 15.4 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -50.69 -44.09 57.77 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-O 121.203 0.525 . . . . 50.0 110.648 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -24.1 61.61 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.354 -0.538 . . . . 50.0 109.93 -174.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -74.4 -41.39 61.02 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.145 -0.622 . . . . 25.0 111.666 -177.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.92 -28.87 67.06 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 118.845 -1.142 . . . . 50.0 109.359 178.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 13.1 mm -64.76 -27.18 41.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 O-C-N 121.703 -0.623 . . . . 50.0 109.953 177.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -63.96 -46.71 83.46 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.719 -0.792 . . . . 50.0 110.071 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -75.72 -24.21 56.16 Favored 'General case' 0 CA--C 1.501 -0.939 0 C-N-CA 118.899 -1.12 . . . . 50.0 109.92 -178.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.68 -34.68 78.39 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 106.073 -1.825 . . . . 50.0 106.073 -179.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 12.9 t -69.5 -22.46 63.6 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.692 0.627 . . . . 50.0 112.692 177.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -85.58 -35.03 21.3 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 109.381 -0.599 . . . . 50.0 109.381 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -70.98 -22.62 62.16 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 108.604 -0.887 . . . . 50.0 108.604 176.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 49.7 m -69.2 -28.87 66.76 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.096 -0.705 . . . . 25.0 109.096 174.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . 59.27 14.32 3.58 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.88 1.437 . . . . 25.0 114.88 -178.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -98.87 32.76 2.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.684 0.755 . . . . 50.0 109.75 178.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 25.5 p -139.83 37.33 1.98 Allowed 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.355 -0.841 . . . . 25.0 111.819 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -62.73 155.83 25.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 122.103 0.954 . . . . 25.0 111.737 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 30.8 p -63.64 -18.72 64.23 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.757 -0.656 . . . . 25.0 111.799 -177.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -69.0 -26.42 65.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.185 -0.322 . . . . 25.0 110.666 177.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -62.12 -31.23 71.68 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 118.294 0.497 . . . . 75.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -59.74 -47.43 85.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.482 0.658 . . . . 50.0 111.657 -178.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 14.8 p -79.47 -31.62 14.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 108.409 -0.96 . . . . 50.0 108.409 -176.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -38.17 90.09 Favored 'General case' 0 C--N 1.318 -0.8 0 O-C-N 121.61 -0.681 . . . . 50.0 110.776 178.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -61.31 -36.87 81.3 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.202 -0.453 . . . . 25.0 110.847 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 60.1 p -64.04 -42.3 97.1 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.178 -0.609 . . . . 50.0 111.476 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -68.82 -37.44 79.2 Favored 'General case' 0 C--O 1.202 -1.412 0 C-N-CA 119.653 -0.819 . . . . 50.0 108.899 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -57.58 -25.82 60.55 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 112.566 0.58 . . . . 50.0 112.566 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 74.1 mt -73.66 -46.67 47.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.256 -0.646 . . . . 50.0 109.256 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.8 -26.11 24.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 122.19 0.995 . . . . 50.0 112.076 -174.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -83.64 -13.51 54.08 Favored 'General case' 0 C--O 1.207 -1.182 0 O-C-N 121.796 -0.565 . . . . 25.0 112.235 -178.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -58.31 -17.89 33.6 Favored Glycine 0 CA--C 1.523 0.579 0 O-C-N 123.621 0.576 . . . . 50.0 114.044 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -71.57 -18.44 62.24 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 117.024 0.412 . . . . 25.0 110.318 176.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -137.21 -157.0 0.74 Allowed 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 108.698 -0.853 . . . . 50.0 108.698 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -119.63 12.05 12.17 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.704 -0.623 . . . . 50.0 110.289 174.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -156.28 176.85 12.14 Favored 'General case' 0 C--O 1.245 0.864 0 N-CA-C 109.353 -0.61 . . . . 50.0 109.353 -176.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -129.43 147.08 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.776 0 N-CA-C 109.166 -0.679 . . . . 50.0 109.166 -177.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 65.4 p -100.13 159.91 14.74 Favored 'General case' 0 C--N 1.31 -1.141 0 O-C-N 120.973 -1.079 . . . . 25.0 109.682 172.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 73.6 mtm -60.18 -35.22 74.87 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-N 114.979 -1.01 . . . . 50.0 108.892 177.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -66.74 -43.04 85.24 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-O 121.831 0.824 . . . . 25.0 110.999 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -66.89 -47.34 72.13 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 112.689 0.626 . . . . 50.0 112.689 -178.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.7 pp -68.44 -25.0 64.8 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 120.344 -0.542 . . . . 50.0 111.193 -178.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -68.23 -14.23 62.83 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 122.004 -0.435 . . . . 50.0 111.413 177.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -78.9 -29.19 44.17 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.399 -0.593 . . . . 50.0 109.399 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -80.28 -42.53 22.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.125 0.964 . . . . 50.0 110.211 -175.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.85 81.43 70.32 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.263 -0.881 . . . . 50.0 109.04 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -63.43 -23.29 71.36 Favored 'Trans proline' 0 CA--C 1.549 1.249 0 N-CA-C 119.317 2.776 . . . . 25.0 119.317 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -78.43 -167.79 0.54 Allowed 'Trans proline' 0 C--N 1.367 1.504 0 C-N-CA 113.582 -3.812 . . . . 50.0 111.52 175.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -53.46 -12.78 0.49 Allowed 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.903 1.446 . . . . 50.0 114.903 -178.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -52.81 -38.78 61.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 118.239 0.472 . . . . 50.0 110.13 174.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -66.1 -41.72 90.24 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 121.484 -0.086 . . . . 25.0 111.055 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -64.89 -41.91 95.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.721 0.772 . . . . 50.0 110.023 -177.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -66.45 -30.4 70.75 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.62 -0.718 . . . . 50.0 109.324 177.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 37.2 m -72.06 -43.65 64.57 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 110.386 -0.228 . . . . 50.0 110.386 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 21.8 mt -62.89 -35.58 71.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 108.77 -0.826 . . . . 50.0 108.77 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -67.48 -8.03 30.3 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.516 0.932 . . . . 25.0 113.516 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -121.31 -32.84 3.79 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.379 0.881 . . . . 50.0 113.379 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 2.9 ttm -61.75 140.45 58.22 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-O 120.912 0.387 . . . . 50.0 111.836 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -67.92 142.31 95.34 Favored Pre-proline 0 C--N 1.318 -0.795 0 CA-C-N 115.888 -0.596 . . . . 25.0 110.042 -174.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -73.58 145.25 37.11 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 CA-C-O 121.903 0.71 . . . . 50.0 111.972 177.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -102.84 124.55 48.58 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.186 -0.915 . . . . 50.0 113.283 -178.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 12.4 m -130.52 73.33 1.53 Allowed 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 107.006 -1.479 . . . . 25.0 107.006 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -127.53 -170.53 12.86 Favored Glycine 0 C--O 1.223 -0.549 0 CA-C-N 115.402 -0.817 . . . . 50.0 113.482 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -68.99 -28.79 28.56 Favored 'Trans proline' 0 C--N 1.349 0.555 0 N-CA-C 116.256 1.598 . . . . 50.0 116.256 -176.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -97.71 19.89 12.87 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.028 0.442 . . . . 50.0 109.819 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 59.9 p -70.2 150.65 46.24 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 115.941 1.83 . . . . 50.0 115.941 -171.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 7.8 m -135.59 164.5 43.08 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 103.921 -2.622 . . . . 50.0 103.921 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.5 3.03 2.88 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 N-CA-C 115.789 1.419 . . . . 50.0 115.789 -178.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -128.74 35.92 2.54 Favored Glycine 0 CA--C 1.502 -0.732 0 N-CA-C 110.319 -1.112 . . . . 50.0 110.319 176.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -95.54 138.66 32.9 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.317 0.579 . . . . 25.0 112.268 -177.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 51.3 mt -134.64 141.38 46.57 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 107.538 -1.282 . . . . 50.0 107.538 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -92.27 102.1 14.6 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.114 -1.069 . . . . 50.0 108.114 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -73.1 -36.64 66.82 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-N 115.269 -0.878 . . . . 50.0 108.851 -177.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 33.2 ttp -64.86 -22.78 67.06 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.683 0.754 . . . . 50.0 110.673 -177.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 6.3 t -88.25 -27.3 21.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.171 -0.922 . . . . 50.0 112.424 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -54.03 -37.95 64.64 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.83 0.678 . . . . 50.0 112.83 -177.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -25.52 31.35 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 114.545 1.313 . . . . 50.0 114.545 178.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 12.9 t -114.69 -3.88 12.81 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.168 0.803 . . . . 25.0 113.168 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -154.01 134.7 13.64 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.378 0.51 . . . . 25.0 112.378 -177.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -144.59 151.94 39.78 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 106.71 -1.589 . . . . 50.0 106.71 176.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -122.26 -3.0 8.99 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 113.872 1.064 . . . . 50.0 113.872 -178.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -85.26 12.05 59.34 Favored Glycine 0 C--O 1.224 -0.49 0 C-N-CA 121.221 -0.514 . . . . 25.0 113.736 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.9 143.16 34.49 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 102.595 -3.113 . . . . 50.0 102.595 179.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 32.1 p -155.61 163.11 40.37 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.863 -0.421 . . . . 25.0 109.863 -178.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -87.69 0.22 56.0 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.041 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 2.2 mt . . . . . 0 C--O 1.247 0.963 0 C-N-CA 123.355 0.662 . . . . 50.0 109.967 -176.725 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.849 0 N-CA-C 111.731 -0.548 . . . . 25.0 111.731 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 51.1 p -60.2 135.17 57.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.375 0.607 . . . . 25.0 111.266 -178.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 28.5 p -124.21 36.63 4.58 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.607 -0.724 . . . . 25.0 109.303 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.38 125.53 7.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 N-CA-C 114.292 1.219 . . . . 75.0 114.292 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 47.2 m -88.35 169.44 11.82 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 113.713 -1.585 . . . . 50.0 107.855 174.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -62.56 -34.29 76.65 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 121.044 -1.035 . . . . 50.0 110.099 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -74.0 -23.7 59.48 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 116.345 -0.388 . . . . 50.0 110.046 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.53 -55.44 6.32 Favored 'General case' 0 CA--C 1.494 -1.207 0 O-C-N 121.724 -0.61 . . . . 50.0 109.99 178.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 23.6 ptp -58.98 -25.54 63.67 Favored 'General case' 0 C--O 1.214 -0.815 0 C-N-CA 119.615 -0.834 . . . . 50.0 110.063 178.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.03 -55.83 25.22 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.926 -0.768 . . . . 50.0 108.926 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -71.75 -31.13 66.33 Favored 'General case' 0 C--O 1.217 -0.631 0 C-N-CA 120.878 -0.329 . . . . 50.0 110.55 -177.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.24 -45.57 93.99 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.298 0.571 . . . . 50.0 109.734 175.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 7.6 mtp-105 -71.65 -39.93 70.02 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 116.398 -0.364 . . . . 50.0 110.212 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.67 -38.17 76.98 Favored 'General case' 0 C--O 1.209 -1.072 0 N-CA-C 112.702 0.63 . . . . 25.0 112.702 -177.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 50.9 p -70.37 -41.59 72.89 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.474 0.579 . . . . 25.0 109.594 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -43.63 92.46 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 107.908 -1.145 . . . . 50.0 107.908 175.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.77 -30.37 68.95 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.605 0.965 . . . . 50.0 113.605 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -71.34 -33.91 70.03 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 122.163 -0.335 . . . . 50.0 110.584 -178.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -89.0 -36.47 15.81 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 108.172 -1.047 . . . . 50.0 108.172 178.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -91.47 68.87 5.81 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-O 122.404 1.097 . . . . 50.0 109.269 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -79.35 -3.79 47.9 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.775 -1.102 . . . . 50.0 110.067 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -91.69 -11.0 38.18 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.358 -0.979 . . . . 50.0 108.358 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 52.25 39.64 27.44 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.783 1.233 . . . . 25.0 112.968 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 2.5 m -71.48 -18.98 62.27 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.728 -0.841 . . . . 25.0 108.728 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 83.27 5.0 89.31 Favored Glycine 0 CA--C 1.508 -0.358 0 N-CA-C 109.224 -1.55 . . . . 50.0 109.224 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -151.17 158.43 43.96 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.775 -1.195 . . . . 25.0 107.775 -176.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 766' ' ' LEU . . . . . 0.456 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 13.9 mt -140.47 171.49 14.06 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.37 -0.974 . . . . 50.0 108.37 177.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.02 173.76 55.34 Favored Glycine 0 N--CA 1.453 -0.2 0 N-CA-C 111.301 -0.72 . . . . 50.0 111.301 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -66.3 -31.53 43.51 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 121.044 1.163 . . . . 50.0 113.308 -177.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -84.15 -34.39 24.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.155 -0.341 . . . . 50.0 110.389 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -63.73 -54.64 32.17 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.734 0.302 . . . . 50.0 110.352 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 771' ' ' PHE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -61.68 -29.5 70.12 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 113.182 0.808 . . . . 50.0 113.182 175.264 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -66.04 -45.33 81.81 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.785 -0.572 . . . . 50.0 109.834 177.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.53 -24.89 62.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.288 0.566 . . . . 25.0 110.177 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 45.6 t -62.44 -37.44 85.87 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.091 -0.707 . . . . 50.0 109.091 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 14.5 mt -65.58 -31.36 72.35 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 115.727 -0.67 . . . . 75.0 112.15 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 67.8 mt -59.05 -34.39 53.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 O-C-N 121.527 -0.733 . . . . 50.0 109.407 -177.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 1.5 m -61.52 -20.0 62.73 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.569 0.581 . . . . 50.0 112.569 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 16.6 mt -95.92 -16.72 21.57 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 115.889 -0.596 . . . . 50.0 111.306 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 115.45 36.99 1.13 Allowed Glycine 0 C--O 1.221 -0.717 0 CA-C-N 115.843 -0.617 . . . . 50.0 114.305 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -105.59 131.1 53.39 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.431 -0.581 . . . . 50.0 109.431 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -83.91 46.37 1.18 Allowed 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.445 0.641 . . . . 50.0 110.445 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 47.1 mt -119.14 76.43 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 106.954 -1.499 . . . . 50.0 106.954 -175.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -123.06 51.83 0.79 Allowed Glycine 0 N--CA 1.465 0.577 0 CA-C-N 115.607 -0.724 . . . . 50.0 113.547 -175.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 66.25 13.47 9.19 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.472 1.109 . . . . 25.0 111.208 -176.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -68.18 153.16 95.86 Favored Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 105.427 -2.064 . . . . 50.0 105.427 175.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.47 -19.84 42.46 Favored 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 114.689 -3.074 . . . . 50.0 113.584 -177.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -81.76 -37.56 27.02 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.154 -1.054 . . . . 50.0 108.154 178.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -66.79 -42.25 93.16 Favored Glycine 0 C--O 1.21 -1.355 0 N-CA-C 110.285 -1.126 . . . . 50.0 110.285 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.56 -36.47 78.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 121.685 -0.891 . . . . 50.0 111.325 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -62.39 -39.33 92.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.702 -0.227 . . . . 25.0 111.119 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -86.64 -22.35 26.21 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-O 121.572 0.701 . . . . 50.0 110.594 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.8 -34.21 66.76 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 108.934 -0.765 . . . . 50.0 108.934 177.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -58.83 -33.05 69.97 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.318 0.58 . . . . 25.0 112.292 178.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -83.48 -29.03 28.32 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 119.836 -0.746 . . . . 50.0 109.34 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 44.1 mt -69.08 -46.41 78.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 C-N-CA 122.244 0.218 . . . . 50.0 110.745 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 8.8 ptt? -62.35 -23.52 66.83 Favored 'General case' 0 C--O 1.216 -0.694 0 C-N-CA 120.615 -0.434 . . . . 50.0 112.044 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 52.5 m -75.85 -18.1 59.57 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 111.668 0.247 . . . . 25.0 111.668 178.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 82.0 mt -94.4 -48.71 12.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.619 0.723 . . . . 50.0 110.616 -177.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 22.7 m -74.83 -14.44 15.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 N-CA-C 113.107 0.78 . . . . 50.0 113.107 -176.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -153.18 68.42 6.58 Favored Pre-proline 0 CA--C 1.543 0.677 0 CA-C-N 115.17 -0.923 . . . . 50.0 110.638 -175.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -71.15 -14.02 31.48 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 117.914 -0.924 . . . . 50.0 111.867 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.92 -9.31 58.22 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 116.207 -0.451 . . . . 50.0 110.472 -178.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 25.7 mmt85 56.91 48.24 16.26 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.373 1.045 . . . . 50.0 110.718 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 87.3 mt -71.52 -25.72 62.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 113.81 -1.541 . . . . 50.0 109.036 175.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 86.9 19.98 54.7 Favored Glycine 0 C--N 1.32 -0.324 0 N-CA-C 110.39 -1.084 . . . . 50.0 110.39 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 7.0 m -145.93 153.77 13.33 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.429 0 CA-C-O 121.383 0.611 . . . . 50.0 109.357 -177.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 17.6 t -131.48 132.32 62.61 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 CA-C-N 115.575 -0.738 . . . . 50.0 110.452 -177.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.21 158.64 15.35 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -49.57 -44.53 46.87 Favored 'General case' 0 C--O 1.213 -0.861 0 C-N-CA 122.837 0.455 . . . . 50.0 110.71 178.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -24.12 62.27 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.195 -0.602 . . . . 50.0 110.489 -174.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -75.98 -40.15 54.39 Favored 'General case' 0 C--O 1.217 -0.634 0 C-N-CA 120.258 -0.577 . . . . 25.0 111.481 -177.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -69.83 -28.05 65.37 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 118.646 -1.222 . . . . 50.0 110.445 177.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 14.7 mm -65.33 -27.88 43.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.215 0.531 . . . . 50.0 109.788 176.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -61.2 -47.84 84.29 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 121.786 -0.571 . . . . 50.0 110.307 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -78.29 -20.6 51.21 Favored 'General case' 0 C--O 1.207 -1.147 0 C-N-CA 119.566 -0.854 . . . . 50.0 111.233 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -59.13 -34.82 72.51 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.026 0.83 . . . . 50.0 109.565 -176.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 9.1 t -72.98 -23.88 60.7 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 121.001 0.429 . . . . 50.0 111.458 177.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -84.91 -28.97 25.56 Favored 'General case' 0 C--O 1.219 -0.544 0 C-N-CA 123.009 0.524 . . . . 50.0 111.348 -178.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -78.9 -32.95 45.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 118.142 0.428 . . . . 50.0 110.921 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 15.2 t -81.17 -2.33 48.13 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 106.968 -1.493 . . . . 25.0 106.968 172.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . 64.03 142.0 0.02 OUTLIER 'General case' 0 C--O 1.237 0.443 0 N-CA-C 116.702 2.112 . . . . 25.0 116.702 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -152.09 149.57 28.97 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.653 -1.158 . . . . 50.0 108.234 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 12.5 t -163.43 157.52 19.96 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.444 -0.576 . . . . 25.0 109.444 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -68.58 150.13 48.38 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 107.955 -1.128 . . . . 25.0 107.955 176.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.93 150.14 46.8 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.327 -1.36 . . . . 25.0 107.327 178.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -63.18 -26.66 68.91 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 110.04 -0.355 . . . . 25.0 110.04 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -58.73 -29.69 66.91 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.67 0.619 . . . . 50.0 112.67 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -64.75 -49.29 71.37 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.349 0.595 . . . . 50.0 110.235 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 14.0 p -76.73 -31.47 19.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 107.704 -1.221 . . . . 50.0 107.704 -177.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -36.81 84.93 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 121.728 -0.608 . . . . 50.0 110.511 178.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.51 -38.31 80.61 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.968 -0.382 . . . . 25.0 109.968 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 55.8 p -68.31 -38.47 81.61 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.493 0.553 . . . . 50.0 112.493 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -68.43 -34.06 75.33 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 109.362 -0.607 . . . . 50.0 109.362 -178.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -65.45 -20.09 66.21 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.684 -0.689 . . . . 50.0 112.761 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 83.8 mt -77.78 -42.44 28.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 107.963 -1.125 . . . . 50.0 107.963 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.68 -29.33 25.72 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.257 0.551 . . . . 50.0 112.155 -175.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -106.42 15.7 25.66 Favored 'General case' 0 C--O 1.206 -1.217 0 N-CA-C 112.213 0.449 . . . . 25.0 112.213 -177.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -61.25 -21.94 60.26 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 109.877 -1.289 . . . . 50.0 109.877 172.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -74.97 -17.21 60.58 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.087 0.402 . . . . 25.0 112.087 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -130.3 -176.64 4.02 Favored 'General case' 0 C--O 1.213 -0.833 0 CA-C-N 118.58 0.627 . . . . 50.0 110.096 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -108.04 13.07 26.37 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.125 -0.694 . . . . 50.0 109.125 174.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -157.67 176.51 12.52 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.32 -0.622 . . . . 50.0 109.32 -176.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -135.92 151.15 28.87 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 N-CA-C 108.431 -0.952 . . . . 50.0 108.431 -177.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 71.1 p -100.7 158.46 15.93 Favored 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 119.482 -0.887 . . . . 25.0 109.364 174.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 69.9 mtm -59.91 -30.09 68.8 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 114.498 -1.228 . . . . 50.0 109.562 176.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -71.53 -43.82 65.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.5 0.667 . . . . 25.0 110.797 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -65.07 -46.75 79.87 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 116.133 -0.485 . . . . 50.0 111.35 -177.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.3 pp -67.31 -24.73 65.78 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.729 -0.607 . . . . 50.0 111.272 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -74.31 -12.32 60.51 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.738 -0.601 . . . . 50.0 111.328 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 17.3 ptt180 -77.43 -26.14 51.31 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 108.456 -0.942 . . . . 50.0 108.456 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -82.95 -42.42 17.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.962 0.886 . . . . 50.0 110.31 -176.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.13 78.66 75.78 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-N 115.213 -0.903 . . . . 50.0 109.867 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -54.33 -33.84 77.93 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 N-CA-C 118.974 2.644 . . . . 25.0 118.974 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -77.17 -164.81 0.29 Allowed 'Trans proline' 0 C--N 1.365 1.41 0 C-N-CA 115.096 -2.803 . . . . 50.0 112.838 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -53.38 -15.82 1.16 Allowed 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 114.359 1.244 . . . . 50.0 114.359 -177.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -53.03 -38.7 62.62 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 122.08 -0.388 . . . . 50.0 110.716 174.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.4 -41.12 96.83 Favored 'General case' 0 C--O 1.218 -0.555 0 O-C-N 122.112 -0.367 . . . . 25.0 110.267 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -68.2 -38.76 82.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.246 0.546 . . . . 50.0 109.985 -176.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -65.96 -32.02 73.26 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.295 -0.631 . . . . 50.0 109.295 176.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 54.4 m -72.07 -41.16 67.7 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 110.077 -0.342 . . . . 50.0 110.077 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 19.1 mt -64.24 -37.69 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 N-CA-C 108.807 -0.812 . . . . 50.0 108.807 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -71.15 1.12 6.33 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 112.469 0.544 . . . . 25.0 112.469 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -121.3 -35.33 3.3 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 112.51 0.559 . . . . 50.0 112.51 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 15.3 ttm -69.02 150.67 47.39 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 113.753 1.02 . . . . 50.0 113.753 -175.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -78.15 143.74 65.93 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.446 -0.797 . . . . 25.0 109.118 -175.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -76.23 152.78 35.5 Favored 'Trans proline' 0 C--O 1.233 0.266 0 CA-C-O 121.834 0.681 . . . . 50.0 112.702 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -116.94 126.44 52.94 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.523 -0.762 . . . . 50.0 112.403 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 62.4 p -129.69 39.68 3.68 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.516 0.674 . . . . 25.0 110.182 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -85.21 -168.13 44.26 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 114.6 0.6 . . . . 50.0 114.6 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -69.82 -26.13 27.61 Favored 'Trans proline' 0 C--N 1.348 0.544 0 CA-C-N 118.866 1.333 . . . . 50.0 114.911 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -99.05 19.54 14.99 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.175 -0.676 . . . . 50.0 109.175 -178.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 83.0 p -75.16 153.85 37.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 122.852 1.31 . . . . 50.0 114.441 -171.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 3.3 m -138.7 164.21 41.37 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 103.07 -2.937 . . . . 50.0 103.07 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -66.96 -10.43 28.46 Favored 'Trans proline' 0 N--CA 1.475 0.421 0 C-N-CA 117.259 -1.361 . . . . 50.0 114.977 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -110.91 29.3 9.0 Favored Glycine 0 C--O 1.227 -0.33 0 N-CA-C 110.782 -0.927 . . . . 50.0 110.782 177.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -93.12 139.56 30.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.294 0.569 . . . . 25.0 111.49 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 66.7 mt -136.09 140.44 43.74 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 106.539 -1.652 . . . . 50.0 106.539 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -90.29 103.72 16.37 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 107.511 -1.292 . . . . 50.0 107.511 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -74.49 -36.36 63.25 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-N 115.29 -0.868 . . . . 50.0 109.169 -177.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 3.2 mtp -62.49 -26.58 68.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.469 0.652 . . . . 50.0 109.615 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.5 t -87.36 -19.09 28.64 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.953 -1.022 . . . . 50.0 113.422 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -57.88 -40.71 80.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.348 0.594 . . . . 50.0 111.93 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 41.2 t -56.99 -27.22 61.33 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.276 -0.42 . . . . 50.0 112.064 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 49.2 p -105.82 -11.34 16.28 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.548 0.944 . . . . 25.0 113.548 -176.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -153.32 118.88 5.26 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 122.571 0.349 . . . . 25.0 111.405 -176.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -144.48 146.22 32.31 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 106.761 -1.57 . . . . 50.0 106.761 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -131.8 -0.81 3.83 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 115.281 1.585 . . . . 50.0 115.281 -175.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -92.78 5.52 76.54 Favored Glycine 0 CA--C 1.511 -0.217 0 C-N-CA 120.272 -0.966 . . . . 25.0 114.529 -177.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -78.68 151.17 32.35 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.958 -0.756 . . . . 50.0 108.958 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 40.1 t -150.95 152.14 33.14 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 106.6 -1.63 . . . . 25.0 106.6 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -88.79 5.08 45.26 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 109.156 -0.683 . . . . 50.0 109.156 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 53.2 tp . . . . . 0 C--O 1.246 0.876 0 C-N-CA 123.162 0.585 . . . . 50.0 109.616 -177.776 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.736 0 CA-C-O 118.321 -1.266 . . . . 25.0 111.47 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 80.1 p -63.96 -25.48 68.16 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 116.653 2.094 . . . . 25.0 116.653 -175.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 8.8 t 54.41 37.86 28.47 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 121.61 0.719 . . . . 25.0 111.833 -178.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -58.47 135.34 22.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 CA-C-N 115.325 -0.852 . . . . 50.0 111.235 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 5.7 m -82.87 166.96 18.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.164 -0.926 . . . . 50.0 108.64 176.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -65.04 -34.32 78.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 120.492 -1.38 . . . . 50.0 109.819 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -73.85 -21.6 60.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.379 -0.373 . . . . 50.0 111.12 178.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.8 -56.66 4.7 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 121.521 0.676 . . . . 50.0 110.043 178.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 23.0 ptp -57.75 -25.32 60.27 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 119.989 -0.684 . . . . 50.0 110.524 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.3 -51.63 62.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.252 -0.431 . . . . 50.0 111.042 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -73.21 -32.16 64.6 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.441 -0.577 . . . . 50.0 109.441 -177.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -60.77 -44.05 97.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.963 0.411 . . . . 50.0 110.256 174.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -69.46 -42.31 75.06 Favored 'General case' 0 CA--C 1.511 -0.526 0 O-C-N 121.874 -0.516 . . . . 50.0 109.945 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.43 -38.7 90.67 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-O 119.136 -0.459 . . . . 25.0 111.916 -177.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 40.9 m -66.78 -44.75 80.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 118.332 0.514 . . . . 25.0 110.661 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -42.41 98.62 Favored 'General case' 0 C--O 1.209 -1.07 0 N-CA-C 108.759 -0.83 . . . . 50.0 108.759 177.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.52 -32.11 71.83 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.029 0.751 . . . . 50.0 113.029 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -67.76 -37.08 81.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.103 -0.373 . . . . 50.0 110.181 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -86.66 -37.96 17.5 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 109.422 -0.584 . . . . 50.0 109.422 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -89.46 68.5 7.85 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-O 122.447 1.118 . . . . 50.0 109.069 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -74.36 -7.87 54.32 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.376 -1.284 . . . . 50.0 110.212 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -89.45 -11.48 42.93 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.759 -0.83 . . . . 50.0 108.759 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 52.93 37.88 25.58 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.863 1.265 . . . . 25.0 113.602 -178.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 26.4 m -71.16 -21.58 62.16 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.101 0.477 . . . . 25.0 110.046 177.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 91.95 -0.21 72.52 Favored Glycine 0 C--O 1.241 0.549 0 N-CA-C 109.726 -1.35 . . . . 50.0 109.726 -178.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 11.6 p -148.9 156.04 41.74 Favored 'General case' 0 CA--C 1.508 -0.647 0 C-N-CA 123.789 0.835 . . . . 25.0 110.013 -175.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 766' ' ' LEU . . . . . 0.448 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 21.0 mt -136.93 175.27 9.77 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 108.386 -0.968 . . . . 50.0 108.386 177.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -81.33 174.33 54.43 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 110.325 -1.11 . . . . 50.0 110.325 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -66.78 -35.84 26.23 Favored 'Trans proline' 0 C--N 1.343 0.269 0 CA-C-N 118.384 1.092 . . . . 50.0 113.261 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -77.5 -35.11 53.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.936 0.398 . . . . 50.0 111.146 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 82.1 mm-40 -63.6 -55.62 22.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.978 0.418 . . . . 50.0 110.552 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 771' ' ' PHE . . . . . 0.448 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.4 OUTLIER -60.16 -28.4 67.89 Favored 'General case' 0 C--O 1.198 -1.619 0 N-CA-C 113.559 0.948 . . . . 50.0 113.559 175.041 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 8.8 ttpt -63.53 -48.79 76.08 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.74 0.781 . . . . 75.0 108.94 176.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.78 -24.3 61.72 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.385 0.612 . . . . 25.0 110.866 -178.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 41.9 t -63.31 -32.42 73.83 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.705 -0.48 . . . . 50.0 109.705 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 16.7 mt -69.2 -34.09 74.35 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 121.37 0.605 . . . . 75.0 109.903 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 56.3 mt -59.38 -32.87 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-N 116.191 -0.459 . . . . 50.0 110.078 -178.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 20.0 t -62.46 -20.08 64.18 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.276 0.473 . . . . 50.0 112.276 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 20.5 mt -95.55 -20.97 18.57 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.431 -0.349 . . . . 50.0 110.476 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 118.54 35.91 0.96 Allowed Glycine 0 CA--C 1.52 0.394 0 CA-C-N 115.842 -0.617 . . . . 50.0 114.281 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -101.96 133.03 47.4 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.322 -0.992 . . . . 50.0 108.322 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -84.07 44.13 0.99 Allowed 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 121.534 0.683 . . . . 50.0 109.595 175.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 64.8 mt -116.79 95.77 4.01 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.505 0 N-CA-C 108.418 -0.956 . . . . 50.0 108.418 -176.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -140.96 -125.76 2.16 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 109.815 -1.314 . . . . 50.0 109.815 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -89.2 13.73 12.58 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 122.565 1.174 . . . . 25.0 108.42 177.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.38 146.59 86.68 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 114.572 -1.195 . . . . 50.0 107.844 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.54 -19.95 24.15 Favored 'Trans proline' 0 C--O 1.222 -0.297 0 C-N-CA 115.891 -2.273 . . . . 50.0 112.876 -175.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -83.63 -35.59 24.49 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 107.757 -1.201 . . . . 50.0 107.757 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -62.51 -51.4 56.5 Favored Glycine 0 C--O 1.211 -1.337 0 N-CA-C 109.172 -1.571 . . . . 50.0 109.172 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.93 -34.31 71.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 118.301 1.05 . . . . 50.0 112.949 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -64.58 -33.48 76.01 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.699 0.285 . . . . 25.0 111.537 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -93.21 -25.19 17.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.447 0.641 . . . . 50.0 111.306 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -68.14 -35.19 77.69 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 108.387 -0.968 . . . . 50.0 108.387 177.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -58.75 -33.91 70.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.934 -0.575 . . . . 25.0 111.367 179.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 25.0 ptt-85 -86.48 -27.99 23.73 Favored 'General case' 0 C--O 1.219 -0.5 0 C-N-CA 119.736 -0.786 . . . . 50.0 110.331 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 38.2 mt -65.69 -47.42 86.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 122.221 0.208 . . . . 50.0 110.699 178.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 18.8 ptt? -60.84 -27.2 67.91 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-O 120.93 0.395 . . . . 50.0 111.463 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 66.2 m -72.99 -20.36 61.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 122.145 -0.347 . . . . 25.0 111.733 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 84.4 mt -92.0 -47.27 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.504 0 CA-C-O 121.453 0.644 . . . . 50.0 110.24 -177.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 31.9 m -76.18 -14.03 14.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.703 -0.68 . . . . 50.0 112.045 -176.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -151.99 69.74 7.7 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-O 121.902 0.858 . . . . 50.0 110.599 -176.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -72.74 -8.58 22.65 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 118.188 -0.742 . . . . 50.0 112.528 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -92.42 -6.34 50.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.141 -0.482 . . . . 50.0 110.737 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? 55.08 49.25 17.9 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-O 122.284 1.04 . . . . 50.0 111.675 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 83.9 mt -73.64 -24.8 60.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 113.923 -1.49 . . . . 50.0 108.65 175.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 87.81 19.36 54.14 Favored Glycine 0 N--CA 1.454 -0.144 0 CA-C-N 115.442 -0.799 . . . . 50.0 111.787 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 13.6 m -145.05 154.97 13.94 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.4 0 N-CA-C 109.619 -0.511 . . . . 50.0 109.619 -176.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 14.5 t -131.06 132.17 63.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.711 -0.677 . . . . 50.0 109.524 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.29 161.44 13.8 Favored 'General case' 0 CA--C 1.506 -0.719 0 N-CA-C 109.45 -0.574 . . . . 25.0 109.45 179.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -52.27 -42.74 63.94 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-O 121.608 0.718 . . . . 50.0 110.414 178.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -22.99 59.11 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 121.624 -0.672 . . . . 50.0 109.512 -174.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -74.97 -41.68 59.1 Favored 'General case' 0 C--O 1.216 -0.709 0 C-N-CA 120.049 -0.66 . . . . 25.0 111.048 -177.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.45 -30.16 68.97 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 119.013 -1.075 . . . . 50.0 110.704 178.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 20.1 mm -62.01 -26.89 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.207 0.527 . . . . 50.0 109.654 176.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.6 -49.38 77.74 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 122.04 -0.412 . . . . 50.0 110.171 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -79.95 -22.59 42.46 Favored 'General case' 0 CA--C 1.504 -0.789 0 C-N-CA 119.485 -0.886 . . . . 50.0 111.861 -178.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -30.83 71.86 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 106.804 -1.554 . . . . 50.0 106.804 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 24.4 t -73.84 -31.44 63.2 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 121.468 -0.77 . . . . 50.0 110.926 174.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -74.88 -20.14 59.85 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 113.579 0.955 . . . . 50.0 113.579 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -93.28 -19.62 21.21 Favored 'General case' 0 CA--C 1.496 -1.112 0 C-N-CA 120.489 -0.484 . . . . 50.0 110.729 174.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 41.6 m -62.0 -45.01 95.51 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 100.854 -3.758 . . . . 25.0 100.854 164.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . 168.39 145.68 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 126.74 2.016 . . . . 25.0 113.984 160.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -100.09 34.07 2.43 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.639 1.176 . . . . 50.0 110.504 -174.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 9.6 t -155.17 163.12 40.65 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 106.414 -1.699 . . . . 25.0 106.414 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -81.25 153.37 27.17 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.247 -0.649 . . . . 25.0 109.247 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -116.32 114.65 24.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.596 0.713 . . . . 25.0 111.681 -176.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -64.88 -18.97 65.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.656 -0.702 . . . . 25.0 111.645 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -61.99 -30.18 70.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.153 0.501 . . . . 50.0 111.381 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -60.78 -47.69 85.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.502 0.668 . . . . 50.0 110.11 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 10.0 p -78.98 -29.35 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.635 -0.506 . . . . 50.0 109.635 -178.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.57 -40.25 90.98 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 121.763 -0.586 . . . . 50.0 110.117 176.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.32 91.83 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.034 -0.53 . . . . 25.0 110.069 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 61.4 p -65.04 -40.09 94.29 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 120.722 -0.391 . . . . 50.0 111.32 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -64.75 -46.7 81.09 Favored 'General case' 0 C--O 1.207 -1.17 0 C-N-CA 120.094 -0.643 . . . . 50.0 109.399 177.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -55.16 -30.09 59.15 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.53 0.937 . . . . 50.0 113.53 -175.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 78.1 mt -70.17 -43.98 78.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.008 -0.738 . . . . 50.0 109.008 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.91 -28.12 26.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.548 0.69 . . . . 50.0 111.622 -177.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -77.49 -13.34 59.94 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 113.385 0.883 . . . . 25.0 113.385 -175.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -57.41 -14.15 12.57 Favored Glycine 0 C--O 1.222 -0.598 0 O-C-N 123.686 0.616 . . . . 50.0 114.019 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -63.08 -31.81 73.04 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.348 0.659 . . . . 25.0 110.167 174.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -139.63 -155.96 0.64 Allowed 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 108.973 -0.751 . . . . 50.0 108.973 -176.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -115.43 13.49 16.52 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 121.961 -0.462 . . . . 50.0 110.429 174.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -156.01 179.22 9.42 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.203 -0.666 . . . . 50.0 109.203 -177.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.04 148.64 33.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.765 -0.828 . . . . 50.0 108.765 -177.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 34.1 p -99.04 158.12 15.88 Favored 'General case' 0 C--N 1.316 -0.862 0 O-C-N 121.653 -0.654 . . . . 25.0 109.831 173.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 70.5 mtm -59.67 -35.13 73.83 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.16 -0.927 . . . . 50.0 109.321 176.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -66.56 -42.26 87.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.362 0.601 . . . . 25.0 111.454 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -66.86 -49.14 66.62 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 116.18 -0.464 . . . . 50.0 111.696 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.12 -26.6 66.77 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 119.811 -0.756 . . . . 50.0 110.814 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 16.4 ttt180 -74.69 -12.85 60.53 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.869 -0.519 . . . . 50.0 111.788 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . 0.426 ' HG2' ' HG2' ' A' ' 851' ' ' GLU . 16.7 ptt180 -76.51 -28.85 56.55 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 107.962 -1.125 . . . . 50.0 107.962 178.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . 0.426 ' HG2' ' HG2' ' A' ' 850' ' ' ARG . 45.0 mm-40 -81.47 -41.33 21.94 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.256 -0.884 . . . . 50.0 110.63 -176.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.88 77.87 74.29 Favored Pre-proline 0 CA--C 1.539 0.531 0 CA-C-N 115.72 -0.673 . . . . 50.0 109.672 178.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -53.45 -34.14 70.35 Favored 'Trans proline' 0 CA--C 1.554 1.496 0 N-CA-C 118.672 2.528 . . . . 25.0 118.672 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.6 -166.89 0.38 Allowed 'Trans proline' 0 C--N 1.364 1.38 0 C-N-CA 115.247 -2.702 . . . . 50.0 112.946 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -52.2 -16.93 0.92 Allowed 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 115.14 1.533 . . . . 50.0 115.14 -177.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -51.97 -39.81 59.91 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 122.194 -0.316 . . . . 50.0 111.227 175.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.27 -41.29 96.99 Favored 'General case' 0 C--O 1.212 -0.883 0 C-N-CA 121.12 -0.232 . . . . 25.0 111.02 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -66.44 -41.37 89.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.442 0.639 . . . . 50.0 109.674 -177.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -65.67 -31.96 73.26 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.149 -0.685 . . . . 50.0 109.149 177.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 46.7 m -71.95 -42.15 66.94 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 110.008 -0.367 . . . . 50.0 110.008 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 20.7 mt -61.94 -42.03 93.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.528 -0.545 . . . . 50.0 109.528 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.5 -26.52 67.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.082 0.468 . . . . 25.0 111.474 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -93.03 -18.42 22.69 Favored 'General case' 0 C--O 1.211 -0.963 0 N-CA-C 112.572 0.582 . . . . 50.0 112.572 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 3.6 ttm -74.27 -178.52 3.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.242 0.544 . . . . 50.0 111.91 -176.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -113.48 144.61 31.65 Favored Pre-proline 0 N--CA 1.446 -0.64 0 N-CA-C 106.248 -1.76 . . . . 25.0 106.248 178.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -73.99 154.6 47.83 Favored 'Trans proline' 0 C--O 1.223 -0.253 0 CA-C-N 118.68 0.564 . . . . 50.0 112.114 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -113.09 132.32 55.47 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.125 0.787 . . . . 50.0 113.125 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 2.8 p -131.85 122.41 25.67 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 105.081 -2.192 . . . . 25.0 105.081 172.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -173.9 -173.23 39.88 Favored Glycine 0 CA--C 1.507 -0.42 0 C-N-CA 120.558 -0.83 . . . . 50.0 111.398 -176.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -69.86 -28.27 24.96 Favored 'Trans proline' 0 N--CA 1.473 0.267 0 CA-C-N 119.065 1.432 . . . . 50.0 114.744 -177.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -99.92 16.03 25.18 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.366 0.603 . . . . 50.0 109.895 -176.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 84.8 p -72.55 153.14 41.46 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 114.77 1.396 . . . . 50.0 114.77 -173.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 6.0 m -137.86 165.03 36.78 Favored Pre-proline 0 C--N 1.319 -0.748 0 N-CA-C 103.578 -2.749 . . . . 50.0 103.578 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.54 -9.38 26.04 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 115.883 -2.278 . . . . 50.0 114.351 -177.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -110.29 31.18 7.61 Favored Glycine 0 C--O 1.23 -0.151 0 CA-C-O 121.346 0.414 . . . . 50.0 112.234 177.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -92.98 137.37 32.43 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.603 0.594 . . . . 25.0 112.603 -176.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 61.1 mt -135.18 139.27 44.43 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.379 -0.971 . . . . 50.0 108.379 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -88.96 105.2 17.62 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 107.048 -1.464 . . . . 50.0 107.048 178.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -73.77 -33.34 64.21 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 114.872 -1.058 . . . . 50.0 108.742 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 4.1 ttm -68.34 -18.26 64.45 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.232 -0.895 . . . . 50.0 110.958 -177.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 4.7 t -94.61 -21.51 18.77 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.782 0.66 . . . . 50.0 112.782 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -58.14 -33.81 69.59 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.746 0.784 . . . . 50.0 110.974 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.66 -30.86 5.92 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 114.851 1.426 . . . . 50.0 114.851 177.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 8.8 t -109.5 -6.66 15.34 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.815 1.413 . . . . 25.0 114.815 -178.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -154.81 150.88 27.99 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.516 1.302 . . . . 25.0 114.516 -176.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -148.79 154.07 39.04 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 106.59 -1.633 . . . . 50.0 106.59 178.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -136.75 1.23 2.52 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.363 1.245 . . . . 50.0 114.363 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -55.08 -18.7 12.99 Favored Glycine 0 N--CA 1.461 0.361 0 N-CA-C 122.298 3.679 . . . . 25.0 122.298 -169.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -155.03 160.48 41.08 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 119.314 1.557 . . . . 50.0 109.726 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 66.2 m -147.07 162.01 39.67 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.503 -1.295 . . . . 25.0 107.503 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -75.93 -36.83 59.24 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.484 0.49 . . . . 50.0 111.508 -178.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 44.5 tp . . . . . 0 C--O 1.256 1.418 0 CA-C-O 115.902 -1.999 . . . . 50.0 107.026 -179.896 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.084 0 N-CA-C 111.276 -0.73 . . . . 25.0 111.276 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 7.1 m -61.59 136.26 57.95 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 113.83 1.048 . . . . 25.0 113.83 -176.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 29.2 t -129.96 88.07 2.61 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 104.656 -2.35 . . . . 25.0 104.656 175.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 1.6 mt -68.01 129.85 32.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 122.117 0.96 . . . . 50.0 110.776 -177.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 35.1 t -82.92 165.41 19.76 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.237 -1.394 . . . . 50.0 107.237 176.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -60.05 -34.67 73.72 Favored 'General case' 0 C--N 1.315 -0.918 0 O-C-N 121.325 -0.86 . . . . 50.0 109.966 175.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -75.42 -24.62 57.14 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.851 -0.613 . . . . 50.0 110.916 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.37 -56.76 5.89 Favored 'General case' 0 CA--C 1.504 -0.814 0 N-CA-C 109.28 -0.637 . . . . 50.0 109.28 179.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 18.9 ptp -58.13 -25.11 61.0 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 119.505 -0.878 . . . . 50.0 111.471 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -56.45 20.32 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.198 -0.667 . . . . 50.0 109.198 -179.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -71.26 -33.38 69.75 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.535 0.207 . . . . 50.0 110.569 -177.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -59.45 -51.64 69.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.29 0.567 . . . . 50.0 110.313 176.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -67.57 -40.63 84.89 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 122.038 -0.414 . . . . 50.0 110.534 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -67.03 -38.11 85.33 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 112.82 0.674 . . . . 25.0 112.82 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 16.9 t -68.82 -43.97 74.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 118.648 0.658 . . . . 25.0 110.105 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -40.98 85.9 Favored 'General case' 0 C--O 1.208 -1.106 0 N-CA-C 108.626 -0.879 . . . . 50.0 108.626 177.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.87 -32.63 71.1 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.447 0.642 . . . . 50.0 112.689 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -68.76 -32.42 72.16 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.503 -0.748 . . . . 50.0 111.19 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -89.87 -37.91 14.1 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 108.365 -0.976 . . . . 50.0 108.365 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -88.28 69.91 9.14 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 122.185 0.993 . . . . 50.0 108.669 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 37.7 mtp85 -78.35 -6.87 56.39 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.687 -1.142 . . . . 50.0 110.47 -178.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -94.75 1.74 55.47 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 108.205 -1.035 . . . . 50.0 108.205 178.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 16.3 p80 39.99 41.19 0.85 Allowed 'General case' 0 C--O 1.239 0.51 0 C-N-CA 125.336 1.455 . . . . 25.0 114.207 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.26 -22.8 61.17 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.909 0.385 . . . . 25.0 110.17 179.619 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 92.44 1.1 69.22 Favored Glycine 0 C--O 1.243 0.669 0 N-CA-C 109.397 -1.481 . . . . 50.0 109.397 -178.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -149.94 157.37 43.1 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 123.729 0.811 . . . . 25.0 108.866 -174.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 766' ' ' LEU . . . . . 0.456 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 14.2 mt -139.66 171.04 14.81 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.614 -0.884 . . . . 50.0 108.614 177.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -78.49 173.7 55.2 Favored Glycine 0 N--CA 1.45 -0.388 0 N-CA-C 111.497 -0.641 . . . . 50.0 111.497 -178.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -67.08 -30.49 38.5 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 121.134 1.223 . . . . 50.0 113.275 -177.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -81.52 -38.0 26.94 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.009 0.433 . . . . 50.0 110.558 178.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -62.69 -55.27 28.4 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.991 -0.55 . . . . 50.0 110.433 -178.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 771' ' ' PHE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.2 OUTLIER -61.98 -27.59 68.96 Favored 'General case' 0 C--O 1.21 -0.988 0 N-CA-C 113.247 0.832 . . . . 50.0 113.247 175.839 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -67.07 -44.66 79.52 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 118.606 0.639 . . . . 50.0 109.603 177.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.63 -25.91 62.35 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.006 0.432 . . . . 25.0 110.623 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 40.8 t -61.46 -36.14 79.56 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.139 -0.689 . . . . 50.0 109.139 177.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 16.6 mt -65.81 -32.02 73.31 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 115.81 -0.632 . . . . 75.0 112.082 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 68.8 mt -57.87 -35.19 50.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 O-C-N 121.879 -0.513 . . . . 50.0 110.493 -176.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 93.2 p -65.59 -18.99 65.73 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.382 0.512 . . . . 50.0 112.382 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 14.1 mt -94.14 -13.38 26.8 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 123.415 0.447 . . . . 50.0 110.766 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 113.7 37.23 1.31 Allowed Glycine 0 C--O 1.214 -1.126 0 N-CA-C 113.835 0.294 . . . . 50.0 113.835 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -108.61 128.92 55.25 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.008 -1.108 . . . . 50.0 108.008 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -84.51 51.33 2.08 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.487 0.66 . . . . 50.0 110.31 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 41.7 mt -120.19 80.86 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.507 0.67 . . . . 50.0 109.234 -175.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -125.21 51.41 0.83 Allowed Glycine 0 C--O 1.221 -0.676 0 N-CA-C 114.524 0.57 . . . . 50.0 114.524 -174.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 66.54 12.13 8.54 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.619 1.168 . . . . 25.0 112.529 -177.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -66.71 155.14 90.09 Favored Pre-proline 0 C--N 1.324 -0.539 0 N-CA-C 105.542 -2.021 . . . . 50.0 105.542 175.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -68.23 -20.7 42.89 Favored 'Trans proline' 0 N--CA 1.471 0.171 0 C-N-CA 113.916 -3.589 . . . . 50.0 112.803 -177.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -80.78 -36.75 31.4 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 108.315 -0.994 . . . . 50.0 108.315 177.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -65.1 -42.88 96.34 Favored Glycine 0 C--O 1.205 -1.716 0 N-CA-C 109.615 -1.394 . . . . 50.0 109.615 178.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.53 -36.96 79.68 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.75 -0.853 . . . . 50.0 111.498 177.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.05 -38.3 90.65 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.648 0.261 . . . . 25.0 111.177 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -90.31 -17.0 28.14 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-O 121.479 0.657 . . . . 50.0 110.821 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -75.36 -33.52 61.07 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 108.042 -1.096 . . . . 50.0 108.042 175.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.12 -33.69 71.17 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.098 0.407 . . . . 25.0 112.098 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 23.3 ptt180 -80.55 -30.74 37.08 Favored 'General case' 0 C--O 1.214 -0.776 0 N-CA-C 108.547 -0.909 . . . . 50.0 108.547 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 59.1 mt -68.53 -48.55 71.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 122.495 0.318 . . . . 50.0 111.328 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 10.2 ptm -61.67 -27.55 68.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.986 0.422 . . . . 50.0 110.866 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 46.6 m -74.49 -16.27 60.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.768 0.318 . . . . 25.0 111.718 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 81.9 mt -97.31 -48.37 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-O 121.3 0.572 . . . . 50.0 110.643 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 21.7 m -75.85 -14.06 15.1 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 CA-C-N 115.572 -0.74 . . . . 50.0 112.389 -176.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -152.73 66.18 6.11 Favored Pre-proline 0 CA--C 1.545 0.752 0 CA-C-O 121.415 0.626 . . . . 50.0 112.186 -175.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -73.41 -12.12 24.92 Favored 'Trans proline' 0 CA--C 1.535 0.533 0 C-N-CA 117.415 -1.257 . . . . 50.0 111.507 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.84 -7.34 59.22 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 116.099 -0.5 . . . . 50.0 110.32 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 51.4 mmm-85 55.88 45.9 23.18 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 124.483 1.114 . . . . 50.0 111.342 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 87.3 mt -69.11 -24.68 64.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.754 -1.112 . . . . 50.0 108.867 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.86 19.27 58.17 Favored Glycine 0 C--N 1.316 -0.544 0 N-CA-C 111.053 -0.819 . . . . 50.0 111.053 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 3.5 m -147.92 155.55 9.96 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 CA-C-O 121.273 0.559 . . . . 50.0 109.721 -177.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 16.6 t -130.36 133.17 64.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.19 -0.914 . . . . 50.0 109.888 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.97 160.62 14.19 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 109.151 -0.685 . . . . 25.0 109.151 179.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -51.9 -42.99 63.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.408 0.623 . . . . 50.0 110.219 178.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -23.61 60.89 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 121.78 -0.575 . . . . 50.0 109.667 -174.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -74.85 -40.27 61.1 Favored 'General case' 0 C--O 1.21 -0.982 0 C-N-CA 120.603 -0.439 . . . . 25.0 111.694 -177.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -69.84 -29.38 66.63 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 118.877 -1.129 . . . . 50.0 109.587 178.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 22.2 mm -62.9 -27.7 43.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 121.806 -0.558 . . . . 50.0 109.642 176.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -61.77 -41.86 98.24 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.378 -0.601 . . . . 50.0 109.378 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -84.19 -23.39 30.56 Favored 'General case' 0 C--O 1.212 -0.901 0 C-N-CA 119.251 -0.98 . . . . 50.0 112.098 178.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -64.13 -31.77 73.08 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 107.63 -1.248 . . . . 50.0 107.63 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 31.9 t -61.25 -30.11 70.26 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.799 0.809 . . . . 50.0 111.29 175.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 60.4 mtt180 -89.85 -25.5 21.0 Favored 'General case' 0 C--O 1.214 -0.81 0 CA-C-N 115.417 -0.81 . . . . 50.0 111.98 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -73.27 -36.11 66.28 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 109.275 -0.639 . . . . 50.0 109.275 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.38 27.46 4.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.771 0.796 . . . . 25.0 110.03 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -61.93 -28.52 69.59 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 114.492 1.293 . . . . 25.0 114.492 -176.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -54.08 145.41 17.03 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 114.508 1.299 . . . . 50.0 114.508 -175.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 5.8 m -63.74 142.39 58.42 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 114.37 -1.286 . . . . 25.0 111.859 -178.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -62.46 135.54 57.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.455 -0.793 . . . . 25.0 109.54 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 13.2 t -67.91 -26.85 66.19 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.233 0.827 . . . . 25.0 113.233 -176.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -74.78 -31.68 61.83 Favored 'General case' 0 C--O 1.238 0.457 0 O-C-N 121.689 -0.632 . . . . 25.0 110.02 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.42 -35.72 81.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.083 0.468 . . . . 50.0 109.963 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -60.65 -48.56 81.25 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-O 121.376 0.608 . . . . 50.0 112.604 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 10.2 p -73.93 -33.58 37.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 N-CA-C 109.081 -0.711 . . . . 50.0 109.081 -176.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 8.5 tpt -64.42 -42.07 96.25 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 122.272 1.034 . . . . 50.0 109.824 177.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -63.82 -35.73 81.57 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 115.839 -0.619 . . . . 25.0 110.167 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 21.4 t -60.53 -43.54 97.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.074 0.398 . . . . 50.0 112.074 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -63.31 -35.29 79.87 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.25 -0.58 . . . . 50.0 109.99 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -69.12 -19.04 64.03 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 123.068 0.547 . . . . 50.0 112.456 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 66.4 mt -83.73 -39.56 15.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 N-CA-C 108.136 -1.061 . . . . 50.0 108.136 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.69 -33.41 23.18 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.462 0.542 . . . . 50.0 112.462 -174.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -74.97 -47.51 28.99 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 106.411 -1.7 . . . . 25.0 106.411 174.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 54.83 -97.52 0.04 OUTLIER Glycine 0 CA--C 1.489 -1.556 0 CA-C-N 112.153 -2.294 . . . . 50.0 114.23 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -83.34 0.81 44.25 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 120.178 -0.609 . . . . 25.0 112.543 -175.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -95.95 143.9 26.73 Favored 'General case' 0 CA--C 1.502 -0.886 0 N-CA-C 106.364 -1.717 . . . . 50.0 106.364 175.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -86.86 7.56 26.67 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.392 0.615 . . . . 50.0 109.941 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -152.79 174.84 13.55 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.079 -0.712 . . . . 50.0 109.079 -177.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.36 155.13 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 N-CA-C 107.215 -1.402 . . . . 50.0 107.215 -177.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 73.8 p -104.78 161.01 14.53 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 108.215 -1.032 . . . . 25.0 108.215 173.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 73.0 mtm -60.69 -37.72 82.56 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.189 -0.914 . . . . 50.0 109.046 176.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.38 -38.55 91.44 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.17 -0.468 . . . . 25.0 111.801 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -67.28 -48.43 67.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.324 -0.398 . . . . 50.0 110.91 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.9 pp -72.6 -28.77 62.98 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.311 -0.956 . . . . 50.0 111.077 -177.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -74.92 -12.99 60.48 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 121.212 -0.93 . . . . 50.0 111.195 177.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -73.3 -24.77 60.44 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.41 -0.806 . . . . 50.0 109.009 177.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -97.06 -31.98 12.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 123.607 0.567 . . . . 50.0 110.994 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.76 75.54 70.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 109.865 -0.42 . . . . 50.0 109.865 175.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -54.46 -35.3 84.77 Favored 'Trans proline' 0 CA--C 1.548 1.188 0 N-CA-C 118.682 2.532 . . . . 25.0 118.682 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -77.12 -162.0 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 C-N-CA 115.715 -2.39 . . . . 50.0 113.201 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -53.57 -16.2 1.45 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 114.65 1.352 . . . . 50.0 114.65 -177.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 31.3 mm100 -52.24 -44.88 65.1 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 121.801 -0.562 . . . . 50.0 110.316 174.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.67 -38.52 91.43 Favored 'General case' 0 C--O 1.214 -0.781 0 C-N-CA 120.898 -0.321 . . . . 25.0 111.601 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -66.99 -40.28 87.33 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.067 0.46 . . . . 50.0 110.342 -177.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -66.34 -32.65 74.18 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 108.315 -0.995 . . . . 50.0 108.315 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 63.3 m -71.54 -43.24 66.76 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 122.397 -0.189 . . . . 50.0 110.557 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 15.8 mt -64.65 -36.38 77.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.222 -0.659 . . . . 50.0 109.222 179.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.96 -15.17 62.76 Favored 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 111.953 0.353 . . . . 25.0 111.953 177.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -108.34 -30.97 8.04 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 114.013 1.116 . . . . 50.0 114.013 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 8.7 ttm -68.89 153.39 43.88 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 113.473 0.916 . . . . 50.0 113.473 -176.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -82.11 145.04 51.93 Favored Pre-proline 0 C--N 1.317 -0.82 0 N-CA-C 108.765 -0.828 . . . . 25.0 108.765 -177.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -75.75 152.1 37.0 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 120.982 1.121 . . . . 50.0 113.181 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -115.49 125.64 53.31 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 113.132 0.79 . . . . 50.0 113.132 -178.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 6.3 m -131.49 66.69 1.54 Allowed 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.66 -0.867 . . . . 25.0 108.66 177.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -116.26 -167.46 14.83 Favored Glycine 0 N--CA 1.46 0.286 0 CA-C-N 115.422 -0.808 . . . . 50.0 113.721 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -69.84 -29.99 22.6 Favored 'Trans proline' 0 C--N 1.349 0.574 0 N-CA-C 115.313 1.236 . . . . 50.0 115.313 -178.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -96.91 29.58 3.01 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 109.331 -0.618 . . . . 50.0 109.331 -178.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 95.9 p -78.26 148.37 33.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 123.202 1.477 . . . . 50.0 112.898 -173.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 15.7 m -135.43 163.35 51.49 Favored Pre-proline 0 C--N 1.319 -0.744 0 N-CA-C 103.082 -2.933 . . . . 50.0 103.082 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -57.67 -23.99 60.49 Favored 'Trans proline' 0 C--N 1.349 0.576 0 N-CA-C 116.32 1.623 . . . . 50.0 116.32 -177.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -109.63 37.67 3.67 Favored Glycine 0 CA--C 1.507 -0.428 0 CA-C-O 119.823 -0.431 . . . . 50.0 113.061 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -91.3 138.37 31.64 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.209 0.528 . . . . 25.0 111.584 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 43.8 mt -134.56 139.49 45.43 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 108.07 -1.085 . . . . 50.0 108.07 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -89.8 103.5 16.15 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 107.057 -1.46 . . . . 50.0 107.057 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -75.93 -35.52 59.72 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-N 115.249 -0.887 . . . . 50.0 109.04 -176.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 1.5 mtp -63.99 -23.97 67.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.239 0.542 . . . . 50.0 110.153 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 4.0 t -87.23 -18.61 29.87 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.104 0.779 . . . . 50.0 113.104 177.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -57.75 -41.49 82.02 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.173 0.511 . . . . 50.0 111.404 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -18.81 8.05 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 114.457 1.28 . . . . 50.0 114.457 175.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 43.0 p -109.25 -16.85 13.97 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 114.099 1.148 . . . . 25.0 114.099 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -156.72 136.48 12.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.867 0.365 . . . . 25.0 111.395 -177.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -144.75 145.37 31.65 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 105.941 -1.874 . . . . 50.0 105.941 176.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -126.09 -2.09 7.06 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 114.307 1.225 . . . . 50.0 114.307 -175.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -85.56 2.89 87.82 Favored Glycine 0 CA--C 1.508 -0.36 0 N-CA-C 114.956 0.742 . . . . 25.0 114.956 -176.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -71.53 148.82 46.35 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 107.841 -1.17 . . . . 50.0 107.841 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 74.0 m -147.6 173.16 12.98 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 107.088 -1.449 . . . . 25.0 107.088 -176.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 58.18 45.37 17.56 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 124.352 1.033 . . . . 50.0 110.114 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 73.2 mt . . . . . 0 C--O 1.243 0.74 0 CA-C-N 114.043 -1.435 . . . . 50.0 109.074 179.218 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.064 0 N-CA-C 111.366 -0.693 . . . . 25.0 111.366 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 28.7 t -164.7 146.91 8.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 105.531 -2.025 . . . . 25.0 105.531 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 36.9 p -78.69 -30.93 46.34 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.748 -1.204 . . . . 25.0 107.748 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 3.6 mt -80.29 115.87 23.49 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.784 0 N-CA-C 115.774 1.768 . . . . 75.0 115.774 -178.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 73.9 m -94.54 173.96 7.36 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 111.294 -2.685 . . . . 50.0 105.902 170.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -62.77 -33.43 75.15 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 120.644 -1.285 . . . . 50.0 110.82 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -73.15 -22.93 60.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 119.54 -0.266 . . . . 50.0 111.0 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.26 -55.74 6.02 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-O 120.986 0.422 . . . . 50.0 110.834 178.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 23.0 ptp -58.51 -25.4 62.34 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 119.505 -0.878 . . . . 50.0 110.418 178.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -54.97 28.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.568 -0.742 . . . . 50.0 110.032 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -72.72 -30.64 64.36 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 110.167 -0.309 . . . . 50.0 110.167 -176.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -60.23 -50.31 74.16 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.206 -0.664 . . . . 50.0 109.206 175.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -65.67 -42.31 91.44 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 120.947 -0.301 . . . . 50.0 110.71 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -67.21 -37.93 84.44 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 113.132 0.789 . . . . 25.0 113.132 -177.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 50.9 m -68.74 -42.7 77.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 118.045 0.384 . . . . 25.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -41.68 94.86 Favored 'General case' 0 C--O 1.209 -1.076 0 N-CA-C 107.913 -1.143 . . . . 50.0 107.913 177.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.32 -29.42 64.99 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.952 0.723 . . . . 50.0 112.952 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -72.14 -31.67 66.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.136 0.494 . . . . 50.0 110.365 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -89.1 -39.37 13.67 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 109.174 -0.676 . . . . 50.0 109.174 178.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -90.79 71.18 6.62 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 122.758 1.266 . . . . 50.0 108.287 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -79.99 -0.5 35.59 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 113.911 -1.495 . . . . 50.0 110.427 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -93.87 -11.49 31.0 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 107.431 -1.322 . . . . 50.0 107.431 177.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 55.43 36.73 27.72 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 114.395 -1.275 . . . . 25.0 112.35 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 40.2 t -69.83 -26.7 64.36 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 114.863 -1.062 . . . . 25.0 109.885 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 93.65 -1.57 68.99 Favored Glycine 0 C--O 1.238 0.372 0 N-CA-C 109.81 -1.316 . . . . 50.0 109.81 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 16.3 p -147.95 154.93 40.98 Favored 'General case' 0 CA--C 1.506 -0.738 0 C-N-CA 123.453 0.701 . . . . 25.0 109.922 -176.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 766' ' ' LEU . . . . . 0.454 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 21.3 mt -137.7 173.38 11.71 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.24 -1.022 . . . . 50.0 108.24 177.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.13 174.26 55.29 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 121.102 -0.57 . . . . 50.0 111.75 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.71 -27.93 31.32 Favored 'Trans proline' 0 C--O 1.225 -0.166 0 C-N-CA 121.099 1.2 . . . . 50.0 112.322 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -82.71 -37.7 24.37 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.786 0.327 . . . . 50.0 110.379 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -67.38 -53.59 27.98 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.614 -0.267 . . . . 50.0 110.458 -178.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 771' ' ' PHE . . . . . 0.454 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -58.62 -30.95 67.65 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 112.923 0.712 . . . . 50.0 112.923 174.086 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -65.13 -44.4 88.81 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.608 0.64 . . . . 50.0 109.875 177.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -72.52 -24.94 61.22 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.035 0.445 . . . . 25.0 110.921 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 49.4 t -63.12 -35.75 81.32 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 109.621 -0.511 . . . . 50.0 109.621 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 14.8 mt -64.58 -35.65 81.66 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-O 121.903 0.859 . . . . 75.0 109.719 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 61.4 mt -60.92 -32.52 52.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 O-C-N 121.575 -0.703 . . . . 50.0 110.48 -176.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 19.1 t -61.8 -21.72 64.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.366 -0.379 . . . . 50.0 111.617 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 18.0 mt -92.32 -20.7 20.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.198 0.523 . . . . 50.0 110.22 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 124.45 20.06 2.47 Favored Glycine 0 C--O 1.218 -0.886 0 N-CA-C 115.084 0.794 . . . . 50.0 115.084 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -87.49 141.71 28.42 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.536 -1.283 . . . . 50.0 107.536 -177.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -96.17 35.01 1.49 Allowed 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.088 -0.96 . . . . 50.0 111.091 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 77.8 mt -108.41 87.45 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 105.469 -2.048 . . . . 50.0 105.469 -177.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -154.11 87.14 0.13 Allowed Glycine 0 C--O 1.228 -0.276 0 N-CA-C 118.351 2.1 . . . . 50.0 118.351 -173.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 59.17 27.85 16.97 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.074 0.95 . . . . 25.0 112.396 175.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -115.8 161.98 27.76 Favored Pre-proline 0 C--N 1.321 -0.665 0 N-CA-C 106.131 -1.803 . . . . 50.0 106.131 177.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -73.16 -16.3 25.27 Favored 'Trans proline' 0 CA--C 1.511 -0.64 0 C-N-CA 116.453 -1.898 . . . . 50.0 114.71 -177.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -85.11 -39.32 18.06 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 118.792 -1.163 . . . . 50.0 108.253 -175.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -65.47 -43.38 94.86 Favored Glycine 0 C--O 1.201 -1.927 0 N-CA-C 109.537 -1.425 . . . . 50.0 109.537 178.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -58.96 -35.85 73.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 118.691 1.246 . . . . 50.0 111.374 177.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.9 -32.6 74.18 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-O 119.149 -0.453 . . . . 25.0 111.097 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -97.57 -20.91 17.38 Favored 'General case' 0 N--CA 1.424 -1.738 0 N-CA-C 109.754 -0.461 . . . . 50.0 109.754 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.08 -33.01 65.37 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 106.497 -1.668 . . . . 50.0 106.497 178.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.59 -29.77 68.2 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.826 0.822 . . . . 25.0 112.991 177.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.6 -39.2 24.86 Favored 'General case' 0 N--CA 1.503 2.193 0 N-CA-C 107.239 -1.393 . . . . 75.0 107.239 178.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 72.4 mt -60.08 -49.54 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.244 0 CA-C-N 116.188 -0.46 . . . . 50.0 110.382 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 25.9 ptm -62.04 -28.35 69.53 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-O 121.007 0.432 . . . . 50.0 110.585 -177.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 59.4 m -72.78 -19.7 61.3 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.869 -0.519 . . . . 25.0 111.589 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 75.8 mt -94.68 -47.7 13.2 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 CA-C-O 121.121 0.486 . . . . 50.0 110.354 -177.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 26.4 m -74.75 -14.12 15.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 112.56 0.578 . . . . 50.0 112.56 -176.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -150.93 70.25 8.56 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.268 -0.878 . . . . 50.0 110.425 -176.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -72.7 -14.45 27.13 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 117.367 -1.289 . . . . 50.0 111.69 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.5 -9.05 58.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.471 -0.331 . . . . 50.0 111.313 -178.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 25.5 mmt85 58.92 46.43 13.76 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.042 0.839 . . . . 50.0 111.752 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 84.1 mt -71.27 -26.52 62.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.26 -1.336 . . . . 50.0 109.283 176.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 87.84 20.14 51.43 Favored Glycine 0 C--O 1.227 -0.317 0 CA-C-N 115.448 -0.796 . . . . 50.0 111.724 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 13.5 m -146.3 157.56 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 109.46 -0.571 . . . . 50.0 109.46 -176.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 15.8 t -131.79 133.47 61.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 123.191 0.596 . . . . 50.0 110.239 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.31 160.49 14.3 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.577 -0.527 . . . . 25.0 109.577 178.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -52.69 -43.07 65.34 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-O 121.892 0.853 . . . . 50.0 110.314 178.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -20.72 59.45 Favored 'General case' 0 C--N 1.314 -0.945 0 O-C-N 121.736 -0.602 . . . . 50.0 110.002 -174.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -77.01 -39.68 49.41 Favored 'General case' 0 C--O 1.217 -0.63 0 C-N-CA 120.172 -0.611 . . . . 25.0 110.892 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -68.17 -31.48 71.06 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 118.635 -1.226 . . . . 50.0 109.05 177.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 17.0 mm -64.83 -28.33 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 109.128 -0.693 . . . . 50.0 109.128 178.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -61.64 -44.89 96.13 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.912 -0.315 . . . . 50.0 110.672 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -78.48 -23.68 46.3 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.276 -0.969 . . . . 50.0 111.011 177.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -22.51 66.95 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 108.137 -1.06 . . . . 50.0 108.137 -177.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 35.1 t -57.74 -28.49 63.96 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.895 -0.503 . . . . 50.0 112.134 177.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -66.63 -28.98 68.91 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-O 121.983 0.897 . . . . 50.0 110.162 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -84.27 -21.74 30.99 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.478 -1.237 . . . . 50.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.68 -9.62 59.6 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.2 0.524 . . . . 25.0 109.901 178.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -77.37 62.25 2.34 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.749 0.819 . . . . 25.0 112.22 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -77.06 -21.98 53.61 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.138 0.792 . . . . 50.0 113.138 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 4.7 p -148.78 160.79 42.87 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.933 -1.136 . . . . 25.0 107.933 -178.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -87.75 170.12 11.5 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.186 -1.042 . . . . 25.0 108.186 175.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 18.7 p -64.93 -26.3 68.25 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 115.547 1.684 . . . . 25.0 115.547 -175.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -88.91 -34.34 16.96 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 121.72 -0.613 . . . . 25.0 112.503 178.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -67.43 -38.15 84.11 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 121.837 -0.539 . . . . 50.0 111.095 -176.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -56.53 -40.45 75.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.359 0.599 . . . . 50.0 112.061 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 7.5 p -88.61 -30.75 5.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.562 -0.744 . . . . 50.0 109.31 -174.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 22.9 ttm -65.71 -37.34 86.18 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 109.863 -0.421 . . . . 50.0 109.863 176.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -57.14 -36.42 70.69 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.127 -0.323 . . . . 25.0 110.127 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 15.7 m -71.55 -44.29 64.83 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 121.094 -0.242 . . . . 50.0 110.999 -178.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -63.7 -39.59 94.68 Favored 'General case' 0 C--O 1.206 -1.186 0 C-N-CA 119.883 -0.727 . . . . 50.0 109.733 178.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -55.62 -27.1 47.73 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.197 0.599 . . . . 50.0 112.589 -177.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 59.7 mt -71.96 -46.49 59.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.162 -0.681 . . . . 50.0 109.162 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.75 -27.2 27.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.844 0.831 . . . . 50.0 111.971 -176.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -79.99 -14.15 58.8 Favored 'General case' 0 C--O 1.205 -1.273 0 CA-C-N 115.212 -0.904 . . . . 25.0 113.107 -177.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -57.47 -16.24 20.69 Favored Glycine 0 C--O 1.22 -0.73 0 O-C-N 123.382 0.426 . . . . 50.0 114.042 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -64.98 -29.97 70.92 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.461 0.704 . . . . 25.0 110.917 174.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -138.03 -165.09 1.73 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.097 0.559 . . . . 50.0 109.906 -175.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -107.57 9.0 29.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.156 -0.34 . . . . 50.0 110.525 175.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -156.89 -179.54 8.31 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.858 -0.423 . . . . 50.0 109.858 -176.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.19 151.71 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 108.581 -0.896 . . . . 50.0 108.581 -178.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 64.3 p -102.72 162.68 12.73 Favored 'General case' 0 C--N 1.315 -0.935 0 O-C-N 120.978 -1.076 . . . . 25.0 108.777 173.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 71.9 mtm -60.06 -36.09 76.58 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.155 -0.929 . . . . 50.0 110.3 177.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -68.14 -40.1 82.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.082 -0.508 . . . . 25.0 111.3 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -67.32 -45.42 76.5 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 116.108 -0.496 . . . . 50.0 111.631 -178.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.0 pp -70.02 -26.4 64.04 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.399 -0.921 . . . . 50.0 110.247 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -75.37 -11.24 60.01 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 121.662 -0.649 . . . . 50.0 111.403 177.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -70.06 -27.82 64.95 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 108.219 -1.03 . . . . 50.0 108.219 176.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -82.98 -46.67 12.61 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.427 -0.806 . . . . 50.0 109.717 -178.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.74 82.66 59.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.309 -0.86 . . . . 50.0 110.206 -178.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -60.86 -27.0 84.1 Favored 'Trans proline' 0 CA--C 1.549 1.229 0 N-CA-C 118.453 2.444 . . . . 25.0 118.453 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -75.77 -164.58 0.25 Allowed 'Trans proline' 0 C--N 1.362 1.254 0 C-N-CA 113.539 -3.841 . . . . 50.0 112.541 177.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -57.37 -14.11 4.27 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 115.251 1.575 . . . . 50.0 115.251 -177.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -50.4 -40.2 49.27 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.716 -0.615 . . . . 50.0 110.895 173.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.78 95.18 Favored 'General case' 0 C--O 1.213 -0.833 0 C-N-CA 120.668 -0.413 . . . . 25.0 111.281 178.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -63.44 -44.33 94.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.883 0.849 . . . . 50.0 108.796 -177.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -65.92 -33.66 76.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.452 -0.795 . . . . 50.0 109.511 178.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 56.9 m -70.35 -38.08 74.74 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 122.339 -0.226 . . . . 50.0 111.008 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 20.2 mt -64.7 -31.81 55.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.12 -0.696 . . . . 50.0 109.12 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -77.31 -14.07 59.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 122.372 1.082 . . . . 25.0 109.752 -176.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.06 -12.45 14.84 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.049 -0.978 . . . . 50.0 111.568 -175.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 9.0 ttm -88.26 172.48 9.41 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.067 0.46 . . . . 50.0 111.666 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -99.21 145.78 30.61 Favored Pre-proline 0 CA--C 1.545 0.785 0 N-CA-C 107.577 -1.268 . . . . 25.0 107.577 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -76.17 154.71 37.3 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 120.709 0.939 . . . . 50.0 113.786 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -123.73 124.85 43.64 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 112.9 0.704 . . . . 50.0 112.9 179.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 73.5 p -131.55 42.76 3.15 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 108.359 -0.978 . . . . 25.0 108.359 177.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -84.52 -168.11 43.78 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-N 115.532 -0.758 . . . . 50.0 113.397 -177.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -68.91 -28.16 29.82 Favored 'Trans proline' 0 CA--C 1.536 0.606 0 CA-C-N 118.882 1.341 . . . . 50.0 114.894 -177.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -96.63 20.55 10.62 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.354 0.597 . . . . 50.0 110.027 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 85.9 p -75.55 154.52 36.75 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.926 1.454 . . . . 50.0 114.926 -172.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 6.6 m -137.04 166.39 27.55 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 104.005 -2.591 . . . . 50.0 104.005 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -68.09 -2.58 9.09 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 116.928 -1.581 . . . . 50.0 115.637 -177.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -126.03 40.03 1.91 Allowed Glycine 0 CA--C 1.509 -0.321 0 N-CA-C 111.588 -0.605 . . . . 50.0 111.588 176.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -95.54 139.4 31.86 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 112.468 0.544 . . . . 25.0 112.468 -177.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 63.7 mt -136.54 142.81 43.45 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.423 -0.954 . . . . 50.0 108.423 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -91.82 107.0 18.9 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 107.544 -1.28 . . . . 50.0 107.544 178.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -76.87 -34.41 57.79 Favored 'General case' 0 CA--C 1.497 -1.07 0 CA-C-N 115.274 -0.876 . . . . 50.0 109.144 -177.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -27.27 67.63 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.077 -0.51 . . . . 50.0 109.944 -179.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.3 t -86.03 -10.66 54.63 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 113.161 0.8 . . . . 50.0 113.161 -176.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -59.02 -38.4 79.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.238 0.542 . . . . 50.0 111.604 -177.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 20.4 p -65.5 -14.23 60.58 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.909 -0.494 . . . . 50.0 112.035 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 44.4 p -109.25 -15.66 14.23 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.906 0.706 . . . . 25.0 112.906 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -157.92 131.58 7.84 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.155 0.502 . . . . 25.0 112.006 -177.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -149.09 156.73 42.64 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 105.76 -1.941 . . . . 50.0 105.76 177.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -128.8 -3.22 5.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.003 0.43 . . . . 50.0 111.319 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -102.31 -129.07 6.55 Favored Glycine 0 C--O 1.228 -0.273 0 N-CA-C 108.741 -1.743 . . . . 25.0 108.741 174.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -126.78 145.4 50.64 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.306 -0.998 . . . . 50.0 108.306 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 35.8 p -104.25 -8.03 19.63 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 113.944 1.09 . . . . 25.0 113.944 -176.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -97.58 20.48 11.74 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.326 0.584 . . . . 50.0 111.655 -172.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 9.2 tp . . . . . 0 C--O 1.256 1.423 0 CA-C-O 118.015 -0.993 . . . . 50.0 112.215 -179.305 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.803 0 N-CA-C 112.514 -0.234 . . . . 25.0 112.514 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 82.5 p -164.92 171.36 14.15 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 103.531 -2.766 . . . . 25.0 103.531 176.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 30.7 p -84.17 10.34 10.49 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 118.616 0.644 . . . . 25.0 110.667 176.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 4.4 mt -79.39 117.41 25.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 117.385 2.365 . . . . 75.0 117.385 -175.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 50.5 m -92.23 170.74 9.57 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 112.366 -2.197 . . . . 50.0 105.797 169.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -60.1 -32.34 70.89 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.311 -1.493 . . . . 50.0 111.691 177.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -74.39 -24.1 59.08 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 122.303 -0.248 . . . . 50.0 110.458 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.77 -53.59 11.18 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 121.405 0.621 . . . . 50.0 110.305 178.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 24.6 ptp -60.06 -25.67 65.55 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 119.294 -0.962 . . . . 50.0 109.978 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -52.55 61.41 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.83 -0.433 . . . . 50.0 109.83 178.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -73.21 -30.18 63.33 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 110.048 -0.352 . . . . 50.0 110.048 -177.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -63.57 -44.3 94.49 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.273 0.558 . . . . 50.0 109.722 176.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -67.03 -42.75 84.35 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 109.119 -0.697 . . . . 50.0 109.119 178.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -66.92 -38.23 85.82 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 113.424 0.898 . . . . 25.0 113.424 -177.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 17.2 p -70.38 -42.93 71.11 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 118.797 0.726 . . . . 25.0 109.766 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -40.52 84.89 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 108.434 -0.95 . . . . 50.0 108.434 176.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.23 -31.17 65.58 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-O 121.42 0.629 . . . . 50.0 112.242 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -67.12 -32.37 73.46 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 121.705 -0.622 . . . . 50.0 110.286 -178.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -92.22 -41.67 10.29 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 108.748 -0.834 . . . . 50.0 108.748 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -90.46 71.73 6.97 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 122.662 1.22 . . . . 50.0 109.229 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 36.9 mtm180 -80.93 1.0 32.88 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 113.975 -1.466 . . . . 50.0 110.939 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -96.53 -9.87 28.59 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.053 -1.091 . . . . 50.0 108.053 178.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 54.68 39.61 31.39 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.823 1.249 . . . . 25.0 111.946 -178.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 47.5 t -68.76 -24.71 64.47 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.291 -1.004 . . . . 25.0 108.291 176.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 90.56 -3.84 81.84 Favored Glycine 0 C--O 1.243 0.669 0 N-CA-C 109.201 -1.56 . . . . 50.0 109.201 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 19.2 p -145.66 158.84 43.8 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 123.632 0.773 . . . . 25.0 109.783 -175.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 766' ' ' LEU . . . . . 0.457 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 25.3 mt -139.95 173.59 11.37 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.906 -1.146 . . . . 50.0 107.906 175.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -85.67 -179.27 50.3 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 110.267 -1.133 . . . . 50.0 110.267 -178.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -68.56 -32.17 25.23 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 121.659 1.573 . . . . 50.0 115.207 -174.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -84.87 -35.78 21.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.51 -0.744 . . . . 50.0 109.408 -178.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -63.2 -53.96 44.96 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.261 -0.427 . . . . 50.0 110.428 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 771' ' ' PHE . . . . . 0.457 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -61.59 -28.79 69.6 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 113.489 0.922 . . . . 50.0 113.489 173.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -65.79 -48.6 71.22 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 108.966 -0.753 . . . . 75.0 108.966 177.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -69.15 -24.1 64.04 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.539 0.685 . . . . 25.0 111.006 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 51.8 t -62.96 -31.62 72.77 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.546 -0.752 . . . . 50.0 109.908 177.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 15.9 mt -70.83 -33.81 71.05 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-O 121.64 0.733 . . . . 75.0 109.952 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 54.8 mt -60.83 -32.84 53.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 O-C-N 121.677 -0.64 . . . . 50.0 110.201 -176.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 41.2 m -63.14 -18.36 63.36 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.164 -0.471 . . . . 50.0 112.174 177.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 15.0 mt -97.04 -15.57 20.97 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 123.128 0.571 . . . . 50.0 111.169 178.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 119.12 22.4 3.52 Favored Glycine 0 C--O 1.218 -0.852 0 N-CA-C 115.371 0.908 . . . . 50.0 115.371 178.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -93.37 148.57 21.94 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.57 -1.27 . . . . 50.0 107.57 -177.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -101.45 31.05 3.91 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 122.396 1.093 . . . . 50.0 109.668 178.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 42.2 mt -103.3 97.93 6.19 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.789 0 N-CA-C 106.914 -1.513 . . . . 50.0 106.914 -177.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -142.09 -138.76 3.53 Favored Glycine 0 C--O 1.253 1.304 0 N-CA-C 109.833 -1.307 . . . . 50.0 109.833 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -82.47 5.13 21.6 Favored 'General case' 0 N--CA 1.435 -1.175 0 O-C-N 121.567 -0.961 . . . . 25.0 109.843 176.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.33 141.64 93.82 Favored Pre-proline 0 C--N 1.317 -0.814 0 N-CA-C 105.581 -2.007 . . . . 50.0 105.581 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -69.08 -21.08 37.16 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 117.309 -1.327 . . . . 50.0 114.33 -171.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -80.32 -36.52 34.14 Favored 'General case' 0 C--O 1.221 -0.425 0 N-CA-C 108.021 -1.104 . . . . 50.0 108.021 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -65.16 -46.07 89.24 Favored Glycine 0 C--O 1.201 -1.959 0 N-CA-C 109.292 -1.523 . . . . 50.0 109.292 177.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.91 -37.55 76.88 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 121.74 -0.859 . . . . 75.0 111.666 177.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.02 -40.21 97.05 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 110.392 -0.225 . . . . 25.0 110.392 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -88.78 -16.86 31.09 Favored 'General case' 0 C--O 1.249 1.052 0 N-CA-C 110.381 -0.229 . . . . 50.0 110.381 -178.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.55 -30.66 61.83 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 107.738 -1.208 . . . . 50.0 107.738 173.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -61.97 -30.84 71.2 Favored 'General case' 0 CA--C 1.569 1.68 0 CA-C-O 119.711 -0.185 . . . . 25.0 110.798 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -40.9 63.16 Favored 'General case' 0 C--O 1.203 -1.388 0 CA-C-O 123.064 1.411 . . . . 75.0 109.07 176.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 58.9 mt -61.72 -50.12 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.674 0 CA-C-N 114.059 -1.428 . . . . 50.0 110.491 -174.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 17.5 ptt? -62.43 -22.97 66.6 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 111.896 0.332 . . . . 50.0 111.896 -178.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 21.4 m -83.33 -19.14 36.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.43 -0.35 . . . . 25.0 111.632 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 70.0 mt -93.71 -47.77 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 CA-C-O 121.0 0.428 . . . . 50.0 110.064 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 19.3 m -74.94 -13.38 15.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 N-CA-C 113.056 0.761 . . . . 50.0 113.056 -177.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -156.25 70.65 5.03 Favored Pre-proline 0 C--O 1.243 0.742 0 CA-C-N 115.524 -0.762 . . . . 50.0 110.242 -175.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -72.87 -15.05 26.65 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 117.573 -1.152 . . . . 50.0 112.194 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.59 -4.77 59.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 50.0 110.459 -178.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 57.2 42.71 25.04 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 124.188 0.93 . . . . 50.0 111.561 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 80.8 mt -69.08 -25.22 64.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.065 -0.97 . . . . 50.0 108.945 176.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 88.3 18.87 54.59 Favored Glycine 0 C--O 1.224 -0.512 0 CA-C-N 116.25 -0.432 . . . . 50.0 112.642 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 15.6 m -142.39 153.86 18.16 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 CA-C-N 117.521 0.661 . . . . 50.0 110.322 -178.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 9.3 t -130.53 132.93 64.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 115.648 -0.706 . . . . 50.0 109.175 -178.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.4 161.11 13.94 Favored 'General case' 0 CA--C 1.502 -0.868 0 N-CA-C 109.039 -0.726 . . . . 25.0 109.039 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -51.82 -43.16 63.01 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-O 121.807 0.813 . . . . 50.0 110.141 178.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.86 -22.56 56.08 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 119.917 -0.713 . . . . 50.0 110.391 -174.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -71.9 -39.07 69.8 Favored 'General case' 0 C--O 1.212 -0.878 0 C-N-CA 120.319 -0.553 . . . . 25.0 110.93 -178.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -71.5 -29.78 65.2 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 118.576 -1.25 . . . . 50.0 110.052 177.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 16.3 mm -63.72 -28.53 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 121.199 0.523 . . . . 50.0 110.037 177.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -57.18 -53.39 58.62 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.098 -0.705 . . . . 50.0 109.098 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -76.14 -22.68 55.17 Favored 'General case' 0 C--O 1.212 -0.878 0 C-N-CA 118.967 -1.093 . . . . 50.0 111.183 -176.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -63.01 -36.55 83.94 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 107.93 -1.137 . . . . 50.0 107.93 -176.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 41.0 t -68.67 -36.77 78.97 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 109.803 -0.443 . . . . 50.0 109.803 176.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 -70.79 -35.6 72.64 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.695 -0.628 . . . . 50.0 110.969 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -73.28 -23.79 60.34 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 110.065 -0.346 . . . . 50.0 110.065 177.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 50.6 m -66.78 -41.02 88.34 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 108.361 -0.978 . . . . 25.0 108.361 176.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . 50.9 39.13 21.87 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.477 0.917 . . . . 25.0 113.477 177.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -87.68 -173.2 4.21 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.614 0.721 . . . . 50.0 112.789 -178.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 14.5 t -124.04 161.8 24.79 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 105.59 -2.004 . . . . 25.0 105.59 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -154.17 157.69 39.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 118.043 0.383 . . . . 25.0 111.033 -174.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 37.7 p -72.09 -24.98 61.59 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 108.23 -1.026 . . . . 25.0 108.23 177.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -77.39 -10.06 59.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.111 -0.95 . . . . 25.0 111.951 177.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -56.94 -30.31 63.91 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-O 121.272 0.558 . . . . 75.0 110.638 -178.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -56.44 -48.63 76.62 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.821 0.819 . . . . 50.0 112.167 178.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 10.7 p -83.91 -30.99 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.792 -0.64 . . . . 50.0 109.662 -177.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 19.2 ttm -65.31 -34.51 78.52 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-N 116.234 -0.439 . . . . 50.0 110.578 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -55.5 -38.36 69.07 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 116.394 -0.366 . . . . 25.0 110.603 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 92.9 p -66.39 -43.93 84.49 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 120.136 -0.626 . . . . 50.0 110.573 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -67.47 -37.78 83.43 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-O 121.389 0.614 . . . . 50.0 110.496 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -66.24 -21.18 66.29 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 122.917 0.487 . . . . 50.0 111.62 -177.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 50.5 mt -79.81 -42.34 22.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 108.42 -0.956 . . . . 50.0 108.42 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.49 -32.9 23.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.39 0.614 . . . . 50.0 112.52 -177.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -108.28 17.17 22.5 Favored 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 115.967 -0.56 . . . . 25.0 112.43 -176.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -67.35 -17.59 68.58 Favored Glycine 0 C--O 1.217 -0.932 0 N-CA-C 108.738 -1.745 . . . . 50.0 108.738 170.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -68.21 -30.78 69.94 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.497 0.719 . . . . 25.0 110.74 176.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -123.12 -155.34 0.65 Allowed 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 107.395 -1.335 . . . . 50.0 107.395 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 24.3 p-10 -127.2 12.58 7.11 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 121.541 -0.725 . . . . 50.0 109.292 175.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -156.55 173.64 16.63 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 108.603 -0.888 . . . . 50.0 108.603 -176.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -131.6 152.06 36.49 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.759 0 N-CA-C 107.953 -1.129 . . . . 50.0 107.953 -176.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 37.8 p -99.96 161.75 13.41 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 107.563 -1.273 . . . . 25.0 107.563 175.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 75.9 mtm -59.65 -31.87 69.93 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.558 -0.746 . . . . 50.0 109.31 177.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -71.58 -44.46 64.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.554 -0.748 . . . . 25.0 112.644 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -65.08 -45.58 84.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.963 -0.562 . . . . 50.0 111.504 -177.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.1 pp -67.4 -26.35 66.4 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.353 -0.842 . . . . 50.0 110.69 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -67.76 -18.4 64.87 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.476 -0.765 . . . . 50.0 112.432 176.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.29 -26.25 61.9 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.178 -0.675 . . . . 50.0 109.178 178.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -83.11 -42.47 17.35 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 115.522 -0.763 . . . . 50.0 110.886 -176.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.42 81.56 69.77 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 116.159 -0.473 . . . . 50.0 111.122 -177.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -53.86 -32.85 68.92 Favored 'Trans proline' 0 CA--C 1.551 1.337 0 N-CA-C 119.339 2.784 . . . . 25.0 119.339 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -77.4 -167.32 0.46 Allowed 'Trans proline' 0 C--N 1.364 1.394 0 C-N-CA 114.652 -3.099 . . . . 50.0 112.794 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -52.65 -16.49 0.96 Allowed 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 115.754 1.761 . . . . 50.0 115.754 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -49.65 -39.06 34.83 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 122.164 -0.335 . . . . 50.0 111.032 173.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -68.92 -39.17 79.81 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 112.15 0.426 . . . . 25.0 112.15 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -62.7 -43.76 97.98 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.54 -0.911 . . . . 50.0 108.54 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -64.88 -35.72 82.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.264 -0.88 . . . . 50.0 109.838 177.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 24.6 m -66.28 -44.41 83.62 Favored 'General case' 0 C--O 1.213 -0.827 0 N-CA-C 108.208 -1.034 . . . . 50.0 108.208 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 22.3 mt -61.58 -40.76 87.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.892 -0.41 . . . . 50.0 109.892 178.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.69 -21.92 66.58 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.79 0.663 . . . . 25.0 112.79 179.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -107.64 -24.89 11.57 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 113.201 0.815 . . . . 50.0 113.201 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 7.0 ttm -66.59 154.7 39.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.522 0.677 . . . . 50.0 111.488 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -80.55 146.4 61.01 Favored Pre-proline 0 C--N 1.318 -0.802 0 N-CA-C 106.728 -1.582 . . . . 25.0 106.728 -177.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -75.79 149.29 33.38 Favored 'Trans proline' 0 CA--C 1.518 -0.277 0 CA-C-N 119.071 0.704 . . . . 50.0 111.481 176.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -109.22 127.95 54.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.339 0.59 . . . . 50.0 112.352 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 73.0 p -134.82 46.22 2.47 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.595 -0.891 . . . . 25.0 108.595 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -93.63 -169.33 38.6 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 111.539 -0.624 . . . . 50.0 111.539 -177.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -71.13 -28.53 18.78 Favored 'Trans proline' 0 C--O 1.214 -0.717 0 CA-C-N 119.038 1.419 . . . . 50.0 114.654 -178.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -99.27 38.42 1.41 Allowed 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 107.65 -1.241 . . . . 50.0 107.65 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 78.1 p -86.93 152.48 22.39 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.454 1.121 . . . . 50.0 113.677 -174.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 11.1 m -134.75 160.73 67.32 Favored Pre-proline 0 C--N 1.317 -0.815 0 N-CA-C 102.939 -2.986 . . . . 50.0 102.939 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -74.99 46.08 1.46 Allowed 'Trans proline' 0 CA--C 1.546 1.08 0 C-N-CA 121.367 1.378 . . . . 50.0 113.713 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -175.31 32.45 0.09 OUTLIER Glycine 0 C--N 1.323 -0.162 0 N-CA-C 109.385 -1.486 . . . . 50.0 109.385 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -100.51 142.97 31.24 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 113.996 -1.102 . . . . 25.0 111.261 -176.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 55.1 mt -133.99 138.18 45.25 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 124.154 0.982 . . . . 50.0 108.372 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -89.65 104.24 16.82 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 106.966 -1.494 . . . . 50.0 106.966 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -80.65 -32.46 36.13 Favored 'General case' 0 CA--C 1.485 -1.522 0 CA-C-N 114.835 -1.075 . . . . 50.0 109.438 -176.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 2.6 mtt -65.97 -30.44 71.01 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 108.826 -0.805 . . . . 50.0 108.826 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.5 t -85.38 -17.75 35.77 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 114.075 1.139 . . . . 50.0 114.075 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -58.49 -34.61 71.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.092 0.472 . . . . 50.0 111.911 -177.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 21.1 t -56.16 -29.11 60.34 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 112.612 0.597 . . . . 50.0 112.612 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 14.1 t -110.08 -2.08 17.18 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.046 1.128 . . . . 25.0 114.046 -178.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -156.16 129.39 8.11 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.626 -0.671 . . . . 25.0 112.407 -178.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -142.23 149.03 39.1 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 106.659 -1.608 . . . . 50.0 106.659 175.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -122.28 -14.81 7.83 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 115.199 1.555 . . . . 50.0 115.199 -175.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -103.21 28.61 14.97 Favored Glycine 0 C--O 1.222 -0.613 0 N-CA-C 115.339 0.896 . . . . 25.0 115.339 -177.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -66.52 136.15 55.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 117.912 0.856 . . . . 50.0 110.012 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 24.0 p -163.05 168.67 20.65 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.883 0.327 . . . . 25.0 111.883 -174.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -73.24 -17.44 61.34 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 108.204 -1.035 . . . . 50.0 108.204 172.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 65.5 tp . . . . . 0 C--O 1.258 1.533 0 CA-C-O 116.883 -1.532 . . . . 50.0 109.713 177.72 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.762 0 N-CA-C 111.437 -0.665 . . . . 25.0 111.437 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 42.0 m -72.05 175.53 5.86 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 113.25 0.834 . . . . 25.0 113.25 -179.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 31.1 t -148.22 154.68 40.41 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 101.384 -3.561 . . . . 25.0 101.384 176.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 5.5 mt -72.97 115.1 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 123.595 1.664 . . . . 50.0 115.452 -175.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 744' ' ' SER . . . . . 0.425 ' H ' ' HB2' ' A' ' 747' ' ' GLN . 31.3 m -95.59 176.97 5.96 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 111.217 -2.72 . . . . 50.0 106.15 170.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -63.17 -36.55 83.99 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 120.851 -1.155 . . . . 50.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . 0.452 ' CD ' ' H ' ' A' ' 746' ' ' GLU . 2.0 mp0 -66.18 -42.37 88.99 Favored 'General case' 0 CA--C 1.499 -1.001 0 C-N-CA 124.815 1.246 . . . . 50.0 108.631 -178.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 747' ' ' GLN . . . . . 0.425 ' HB2' ' H ' ' A' ' 744' ' ' SER . 0.4 OUTLIER -58.73 -60.42 3.86 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 113.921 -1.49 . . . . 50.0 112.326 177.312 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.02 -26.32 60.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.267 -0.896 . . . . 50.0 111.303 178.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.28 -52.87 51.44 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.274 -0.421 . . . . 50.0 111.291 179.149 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -68.84 -33.28 73.55 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.167 -0.679 . . . . 50.0 109.167 -178.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -60.49 -46.79 88.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.254 0.549 . . . . 50.0 110.614 176.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 13.0 mtp85 -68.32 -40.38 81.66 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 116.472 -0.331 . . . . 50.0 110.32 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.52 -40.32 92.83 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.882 -0.327 . . . . 25.0 111.45 -178.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 45.9 m -65.16 -44.54 88.21 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 117.824 0.284 . . . . 25.0 110.869 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -41.05 96.33 Favored 'General case' 0 C--O 1.21 -0.985 0 N-CA-C 108.917 -0.772 . . . . 50.0 108.917 177.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.47 -33.56 73.09 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.783 0.66 . . . . 50.0 112.783 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -66.71 -34.42 77.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.089 0.471 . . . . 50.0 110.238 -178.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -90.93 -35.03 14.96 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 115.986 -0.552 . . . . 50.0 110.122 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -92.99 70.62 4.6 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-O 122.204 1.002 . . . . 50.0 108.899 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -79.37 -0.77 34.04 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.693 -1.139 . . . . 50.0 110.565 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -90.36 -11.47 40.53 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 107.132 -1.433 . . . . 50.0 107.132 174.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 51.15 35.35 13.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.423 -1.262 . . . . 25.0 113.027 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 90.7 p -74.47 -20.82 59.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.778 -0.646 . . . . 25.0 110.518 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 96.55 0.44 60.91 Favored Glycine 0 C--O 1.243 0.658 0 N-CA-C 110.0 -1.24 . . . . 50.0 110.0 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 3.1 p -145.06 160.63 41.09 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 123.263 0.625 . . . . 25.0 110.963 -176.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 766' ' ' LEU . . . . . 0.453 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 22.5 mt -141.26 175.03 9.97 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 107.187 -1.412 . . . . 50.0 107.187 175.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -84.59 -179.41 51.38 Favored Glycine 0 C--O 1.241 0.593 0 N-CA-C 110.043 -1.223 . . . . 50.0 110.043 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.97 -31.43 19.63 Favored 'Trans proline' 0 CA--C 1.528 0.217 0 N-CA-C 115.153 1.174 . . . . 50.0 115.153 -175.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -84.88 -33.63 22.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.506 0.669 . . . . 50.0 109.611 -177.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 58.5 mp0 -63.93 -55.79 20.02 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.571 -0.74 . . . . 50.0 109.781 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 771' ' ' PHE . . . . . 0.453 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.4 OUTLIER -59.89 -31.08 69.47 Favored 'General case' 0 C--O 1.213 -0.835 0 N-CA-C 113.071 0.767 . . . . 50.0 113.071 173.791 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt -65.2 -45.97 82.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 119.033 0.833 . . . . 50.0 109.801 177.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.28 -25.66 62.54 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.176 0.512 . . . . 25.0 110.826 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 52.5 t -61.67 -36.19 80.13 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.624 -0.51 . . . . 50.0 109.624 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 11.9 mt -66.92 -33.03 74.7 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 121.471 0.653 . . . . 75.0 111.588 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 68.8 mt -58.55 -33.53 48.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-O 121.32 0.581 . . . . 50.0 110.046 -177.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 1.2 m -60.35 -23.59 64.38 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 122.97 0.508 . . . . 50.0 112.196 178.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 15.5 mt -93.92 -18.96 21.39 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 116.033 -0.53 . . . . 50.0 111.555 -178.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 118.4 36.76 0.9 Allowed Glycine 0 C--O 1.221 -0.687 0 CA-C-N 116.005 -0.543 . . . . 50.0 114.434 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -103.78 130.1 51.27 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.153 -0.616 . . . . 50.0 109.339 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -84.31 52.21 2.29 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.968 0.89 . . . . 50.0 110.795 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 44.5 mt -126.01 77.08 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 108.209 -1.034 . . . . 50.0 108.209 -176.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -125.11 52.76 0.79 Allowed Glycine 0 C--O 1.224 -0.513 0 CA-C-N 115.844 -0.616 . . . . 50.0 114.004 -176.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 68.59 12.27 8.63 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.781 1.232 . . . . 25.0 111.729 -177.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -67.2 155.8 89.66 Favored Pre-proline 0 C--N 1.32 -0.707 0 N-CA-C 106.556 -1.646 . . . . 50.0 106.556 174.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.61 -20.01 36.11 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 113.359 -3.961 . . . . 50.0 113.142 -177.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -81.63 -37.2 27.91 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 107.864 -1.161 . . . . 50.0 107.864 177.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -64.26 -48.61 72.79 Favored Glycine 0 C--O 1.21 -1.365 0 N-CA-C 109.797 -1.321 . . . . 50.0 109.797 178.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.83 -33.56 70.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 118.387 1.094 . . . . 50.0 112.378 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.48 -36.77 84.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.683 0.278 . . . . 25.0 111.04 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -94.2 -17.37 22.78 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-O 121.899 0.856 . . . . 50.0 111.823 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -73.87 -32.42 63.62 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 107.203 -1.406 . . . . 50.0 107.203 174.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.65 -33.78 71.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.046 -0.524 . . . . 25.0 111.836 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 40.0 ptt85 -81.4 -30.06 33.73 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 108.273 -1.01 . . . . 50.0 108.273 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 40.4 mt -68.75 -51.06 49.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.916 -0.402 . . . . 50.0 109.916 -177.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 19.2 ptt? -60.04 -26.02 65.79 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.234 0.457 . . . . 50.0 112.234 -178.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 46.8 m -77.98 -20.33 52.83 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.211 0.448 . . . . 25.0 112.211 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 67.3 mt -93.72 -46.57 13.73 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.59 0 CA-C-O 121.348 0.594 . . . . 50.0 110.354 -176.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 32.8 m -74.83 -12.97 15.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.73 -0.668 . . . . 50.0 112.524 -176.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -150.56 70.69 8.93 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.582 -0.736 . . . . 50.0 111.242 -176.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -74.18 -13.44 23.4 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 117.178 -1.415 . . . . 50.0 112.373 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.38 -5.81 59.27 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.526 -0.307 . . . . 50.0 110.914 -178.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 57.49 45.82 18.98 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 123.712 0.805 . . . . 50.0 112.269 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 82.6 mt -70.93 -24.75 62.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.707 -1.133 . . . . 50.0 108.895 176.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.33 18.1 61.24 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.528 -0.76 . . . . 50.0 111.995 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 16.2 m -145.51 159.71 12.7 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 N-CA-C 109.179 -0.674 . . . . 50.0 109.179 -176.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 12.0 t -131.33 132.0 63.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.842 -0.617 . . . . 50.0 109.882 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 6.7 t -97.47 158.93 15.22 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 109.685 -0.487 . . . . 25.0 109.685 178.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -50.33 -43.53 53.92 Favored 'General case' 0 C--O 1.215 -0.742 0 CA-C-O 121.462 0.649 . . . . 50.0 111.214 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -21.53 60.96 Favored 'General case' 0 C--N 1.318 -0.791 0 O-C-N 121.335 -0.853 . . . . 50.0 110.101 -175.109 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -77.06 -41.12 43.66 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 119.775 -0.77 . . . . 25.0 110.749 -176.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.417 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.0 OUTLIER -67.49 -29.56 69.02 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 119.194 -1.002 . . . . 50.0 110.332 178.103 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 20.2 mm -63.91 -25.9 39.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 121.058 0.456 . . . . 50.0 110.354 177.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -60.33 -47.69 84.95 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.209 -0.596 . . . . 50.0 110.684 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 815' ' ' PHE . . . . . 0.472 ' HA ' HH11 ' A' ' 818' ' ' ARG . 3.9 p90 -81.31 -23.34 37.92 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 119.644 -0.822 . . . . 50.0 112.588 -177.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -56.27 -31.95 64.08 Favored 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 120.861 -0.336 . . . . 50.0 111.697 -174.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 36.1 t -62.47 -25.35 67.94 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.255 0.465 . . . . 50.0 112.255 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 818' ' ' ARG . . . . . 0.472 HH11 ' HA ' ' A' ' 815' ' ' PHE . 79.4 mtt85 -86.14 -38.78 17.36 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 122.471 0.309 . . . . 50.0 110.646 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -77.16 -32.45 56.25 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.426 0.528 . . . . 50.0 112.426 -176.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 6.1 t -71.15 8.76 0.88 Allowed 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.758 0.79 . . . . 25.0 112.479 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -61.58 -24.84 66.94 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.116 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -134.43 161.68 34.34 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 108.412 -0.958 . . . . 50.0 108.412 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 26.5 m -159.13 133.08 7.54 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 109.452 -0.573 . . . . 25.0 109.452 -178.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -70.59 154.11 42.19 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 109.834 -0.432 . . . . 25.0 109.834 177.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 65.9 p -96.62 -25.01 15.74 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 115.001 1.482 . . . . 25.0 115.001 -177.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -89.42 -51.85 5.34 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 114.432 1.271 . . . . 25.0 114.432 -178.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -62.36 -22.64 66.27 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 113.882 1.067 . . . . 75.0 113.882 -172.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -49.34 -41.51 39.0 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.62 0.724 . . . . 50.0 112.07 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 6.7 p -68.44 -35.62 71.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.258 -0.883 . . . . 50.0 110.329 -174.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -79.55 -41.31 27.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.835 -0.54 . . . . 50.0 109.676 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.33 -44.16 92.65 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 116.375 -0.375 . . . . 25.0 110.103 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 40.9 m -58.54 -44.11 89.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.945 0.402 . . . . 50.0 110.783 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -63.96 -44.63 92.2 Favored 'General case' 0 C--O 1.204 -1.333 0 N-CA-C 108.799 -0.815 . . . . 50.0 108.799 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -57.87 -31.93 67.19 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.66 0.615 . . . . 50.0 112.66 -176.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 26.0 mt -72.98 -42.54 59.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 N-CA-C 108.678 -0.86 . . . . 50.0 108.678 -177.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.36 -22.85 30.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.439 0.637 . . . . 50.0 112.163 -177.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -84.92 -13.89 49.39 Favored 'General case' 0 C--O 1.206 -1.2 0 N-CA-C 113.124 0.787 . . . . 25.0 113.124 -178.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -47.38 -27.61 4.16 Favored Glycine 0 C--O 1.227 -0.284 0 N-CA-C 116.719 1.448 . . . . 50.0 116.719 -175.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -73.63 -14.34 61.16 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 117.795 0.798 . . . . 25.0 112.68 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -137.48 -172.71 3.29 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 123.162 0.585 . . . . 50.0 109.436 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -109.65 14.46 23.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 121.813 -0.554 . . . . 50.0 111.245 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -159.92 178.76 9.41 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.541 0.21 . . . . 50.0 110.779 -176.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -133.58 152.08 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 N-CA-C 108.175 -1.046 . . . . 50.0 108.175 -177.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 76.4 p -104.52 164.63 11.61 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 107.799 -1.186 . . . . 25.0 107.799 171.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.93 -35.63 69.28 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.173 -1.376 . . . . 50.0 111.378 177.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -73.35 -42.3 62.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.55 -0.75 . . . . 25.0 110.919 -179.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -61.05 -46.6 90.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.831 -0.622 . . . . 50.0 112.032 -178.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.0 pp -71.11 -26.44 63.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.755 0.312 . . . . 50.0 111.334 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -67.36 -12.97 61.52 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.7 -0.625 . . . . 50.0 111.221 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -62.91 -31.34 72.39 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 109.507 -0.553 . . . . 50.0 109.507 175.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -90.33 -36.7 14.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.012 -0.54 . . . . 50.0 111.728 -174.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.77 77.58 76.08 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.047 -0.524 . . . . 50.0 110.156 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -59.71 -28.7 87.95 Favored 'Trans proline' 0 CA--C 1.554 1.517 0 N-CA-C 119.132 2.705 . . . . 25.0 119.132 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -77.38 -161.03 0.13 Allowed 'Trans proline' 0 C--N 1.363 1.33 0 C-N-CA 114.246 -3.37 . . . . 50.0 112.68 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -55.35 -16.83 3.88 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.304 1.224 . . . . 50.0 114.304 -178.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -51.77 -40.62 60.64 Favored 'General case' 0 N--CA 1.447 -0.611 0 O-C-N 122.052 -0.405 . . . . 50.0 111.842 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.29 97.74 Favored 'General case' 0 C--O 1.206 -1.202 0 C-N-CA 120.919 -0.312 . . . . 25.0 110.475 178.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -68.6 -38.18 80.39 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.014 0.435 . . . . 50.0 110.597 -176.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -66.51 -31.37 72.05 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.091 -0.707 . . . . 50.0 109.091 175.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 60.1 m -72.89 -44.47 61.25 Favored 'General case' 0 C--O 1.211 -0.969 0 N-CA-C 109.691 -0.485 . . . . 50.0 109.691 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 17.4 mt -60.5 -38.59 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 N-CA-C 109.823 -0.436 . . . . 50.0 109.823 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -63.92 -26.21 68.49 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.569 0.581 . . . . 25.0 112.569 178.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -105.92 -19.39 13.75 Favored 'General case' 0 C--O 1.212 -0.885 0 N-CA-C 113.554 0.946 . . . . 50.0 113.554 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 10.7 ttm -66.35 157.47 31.71 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 108.354 -0.98 . . . . 50.0 108.354 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -84.88 143.02 39.61 Favored Pre-proline 0 C--N 1.314 -0.95 0 N-CA-C 107.638 -1.245 . . . . 25.0 107.638 -176.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -74.69 148.32 36.64 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 CA-C-O 121.584 0.577 . . . . 50.0 112.594 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -111.59 127.33 55.7 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.422 -0.808 . . . . 50.0 113.086 -178.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 2.4 m -131.24 54.75 1.89 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.628 0.728 . . . . 25.0 109.582 178.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -100.94 -168.97 28.4 Favored Glycine 0 CA--C 1.521 0.43 0 CA-C-N 115.736 -0.665 . . . . 50.0 112.909 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -70.52 -28.51 21.5 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 CA-C-N 118.785 1.293 . . . . 50.0 114.626 -178.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -95.52 18.62 12.39 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.58 0.705 . . . . 50.0 109.845 -177.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 81.2 p -72.52 148.04 45.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 122.666 1.222 . . . . 50.0 113.731 -172.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 15.6 m -133.21 161.04 66.17 Favored Pre-proline 0 C--N 1.32 -0.688 0 N-CA-C 105.946 -1.872 . . . . 50.0 105.946 -178.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -60.24 91.36 0.09 OUTLIER 'Trans proline' 0 C--N 1.353 0.77 0 N-CA-C 114.949 1.096 . . . . 50.0 114.949 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 115.52 11.59 10.36 Favored Glycine 0 C--O 1.21 -1.403 0 CA-C-N 115.12 -0.946 . . . . 50.0 113.599 177.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -59.16 146.78 37.67 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 123.836 0.855 . . . . 25.0 109.385 177.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 11.6 mt -133.24 138.31 46.43 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.847 -0.615 . . . . 50.0 109.67 -175.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -90.0 111.07 22.04 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 105.344 -2.095 . . . . 50.0 105.344 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -80.38 -34.64 36.23 Favored 'General case' 0 CA--C 1.505 -0.761 0 N-CA-C 108.93 -0.767 . . . . 50.0 108.93 -177.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 5.1 mmm -63.51 -29.04 70.37 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.439 0.637 . . . . 50.0 110.01 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 3.3 t -88.03 -12.99 42.75 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.653 0.982 . . . . 50.0 113.653 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -56.26 -43.91 79.19 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.268 0.84 . . . . 50.0 113.268 -177.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 50.8 m -64.36 -8.1 11.99 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 114.122 1.156 . . . . 50.0 114.122 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 32.5 p -109.25 -17.43 13.83 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.214 0.82 . . . . 25.0 113.214 178.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -158.03 144.33 17.45 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.782 0.66 . . . . 25.0 112.782 -177.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 4.3 pp -142.94 154.85 44.48 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 105.746 -1.946 . . . . 50.0 105.746 177.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -128.38 -10.11 5.18 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 115.361 1.615 . . . . 50.0 115.361 -177.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -88.5 13.97 60.88 Favored Glycine 0 CA--C 1.511 -0.183 0 N-CA-C 115.074 0.79 . . . . 25.0 115.074 -176.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 56.5 tt0 -157.17 131.52 8.49 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.998 -1.482 . . . . 50.0 106.998 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 89.8 p -160.82 172.58 16.74 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.968 -0.753 . . . . 25.0 108.968 -178.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -79.82 -30.06 40.38 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.698 0.761 . . . . 50.0 109.51 177.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 C--O 1.255 1.346 0 N-CA-C 105.307 -2.109 . . . . 50.0 105.307 -179.409 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.172 0 CA-C-O 119.262 -0.744 . . . . 25.0 112.514 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 21.7 m -103.78 0.21 30.12 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.342 1.071 . . . . 25.0 111.727 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 12.1 t -79.96 -13.91 58.99 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 121.293 -0.879 . . . . 25.0 112.333 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.56 135.01 29.06 Favored 'Isoleucine or valine' 0 C--O 1.246 0.909 0 N-CA-C 108.817 -0.809 . . . . 50.0 108.817 176.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.67 162.8 18.62 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 108.933 -0.765 . . . . 50.0 108.933 175.099 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -58.0 -30.43 66.06 Favored 'General case' 0 C--O 1.208 -1.117 0 CA-C-N 118.862 0.755 . . . . 50.0 109.696 175.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -73.65 -40.13 63.97 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 123.544 0.738 . . . . 50.0 110.342 177.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 747' ' ' GLN . . . . . 0.4 ' HA ' HE21 ' A' ' 747' ' ' GLN . 0.2 OUTLIER -61.39 -56.67 17.71 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.593 -0.443 . . . . 50.0 110.508 176.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 2.6 ptm -58.28 -26.17 62.67 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 119.98 -0.688 . . . . 50.0 111.073 179.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.62 -50.46 64.97 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 123.413 0.446 . . . . 50.0 111.173 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -72.44 -31.74 65.72 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 109.309 -0.626 . . . . 50.0 109.309 -178.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -62.15 -50.71 70.78 Favored 'General case' 0 C--O 1.243 0.735 0 N-CA-C 109.928 -0.397 . . . . 50.0 109.928 175.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -65.57 -40.99 93.38 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 120.373 -0.531 . . . . 50.0 111.645 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -70.51 -37.4 74.15 Favored 'General case' 0 C--O 1.21 -0.982 0 O-C-N 123.332 0.395 . . . . 25.0 111.117 -176.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 43.0 m -68.96 -42.36 76.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 119.038 0.835 . . . . 25.0 110.56 178.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.45 -44.55 84.84 Favored 'General case' 0 C--O 1.209 -1.038 0 N-CA-C 108.276 -1.009 . . . . 50.0 108.276 176.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.03 -31.23 65.98 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 115.584 1.698 . . . . 50.0 115.584 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -69.13 -30.77 69.11 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.186 -1.042 . . . . 50.0 108.186 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -91.31 -34.68 14.82 Favored 'General case' 0 CA--C 1.559 1.32 0 N-CA-C 108.373 -0.973 . . . . 50.0 108.373 -178.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -92.93 71.88 4.73 Favored 'General case' 0 C--O 1.207 -1.156 0 C-N-CA 123.405 0.682 . . . . 50.0 109.494 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -80.8 -2.09 45.73 Favored 'General case' 0 CA--C 1.496 -1.126 0 CA-C-N 114.358 -1.292 . . . . 50.0 111.533 -178.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -92.69 -16.19 25.81 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 108.426 -0.954 . . . . 50.0 108.426 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 61.17 34.66 18.81 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 113.996 -1.457 . . . . 25.0 112.691 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 69.8 m -74.38 -19.76 60.32 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.58 -0.282 . . . . 25.0 110.887 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 92.77 -0.79 70.51 Favored Glycine 0 C--O 1.243 0.678 0 N-CA-C 109.05 -1.62 . . . . 50.0 109.05 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 17.9 p -146.53 157.49 43.75 Favored 'General case' 0 N--CA 1.438 -1.071 0 O-C-N 124.444 0.732 . . . . 25.0 110.638 -174.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 17.0 mt -136.92 170.22 16.46 Favored 'General case' 0 CA--C 1.492 -1.274 0 N-CA-C 108.645 -0.872 . . . . 50.0 108.645 177.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.63 175.53 54.99 Favored Glycine 0 C--O 1.243 0.693 0 N-CA-C 110.463 -1.055 . . . . 50.0 110.463 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -70.12 -26.82 25.47 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 121.222 1.281 . . . . 50.0 112.274 -176.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -82.42 -38.99 23.26 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.349 -0.611 . . . . 50.0 109.349 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -67.65 -48.77 65.74 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 116.475 -0.329 . . . . 50.0 110.464 -177.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 771' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.09 -30.53 71.6 Favored 'General case' 0 C--O 1.202 -1.43 0 C-N-CA 119.333 -0.947 . . . . 50.0 111.65 173.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -59.8 -46.04 90.45 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 119.363 0.983 . . . . 50.0 109.004 177.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -76.5 -23.17 53.75 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.49 -0.777 . . . . 25.0 111.987 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 42.4 t -61.89 -39.56 92.36 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 109.487 -0.56 . . . . 50.0 109.487 177.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 18.2 mt -63.76 -29.47 70.67 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-O 121.506 0.67 . . . . 75.0 111.982 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 66.3 mt -61.0 -33.21 54.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.365 -0.379 . . . . 50.0 110.11 -176.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 80.5 p -67.88 -17.74 64.58 Favored 'General case' 0 C--O 1.211 -0.942 0 C-N-CA 120.368 -0.533 . . . . 50.0 112.27 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 13.4 mt -91.85 -14.36 29.86 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.642 0.734 . . . . 50.0 109.912 177.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 117.5 23.55 3.72 Favored Glycine 0 C--O 1.226 -0.394 0 N-CA-C 115.019 0.768 . . . . 50.0 115.019 177.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -94.41 137.01 34.06 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.552 -0.969 . . . . 50.0 110.193 -176.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -88.13 46.39 1.38 Allowed 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 121.932 0.872 . . . . 50.0 113.32 -178.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 14.0 mt -110.88 66.29 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-O 122.458 1.123 . . . . 50.0 108.393 -177.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -99.95 42.38 1.98 Allowed Glycine 0 C--N 1.318 -0.418 0 CA-C-N 115.002 -0.999 . . . . 50.0 115.383 -171.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 43.4 t30 63.26 27.03 15.37 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 122.897 1.332 . . . . 25.0 110.475 -177.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -96.15 156.56 36.9 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 106.787 -1.56 . . . . 50.0 106.787 176.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -67.15 -18.42 51.07 Favored 'Trans proline' 0 CA--C 1.51 -0.703 0 C-N-CA 116.908 -1.595 . . . . 50.0 114.906 -177.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -78.31 -40.1 37.76 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 106.694 -1.595 . . . . 50.0 106.694 177.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -67.35 -43.18 88.83 Favored Glycine 0 CA--C 1.5 -0.844 0 N-CA-C 110.741 -0.943 . . . . 50.0 110.741 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -59.74 -32.49 70.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.524 -0.986 . . . . 50.0 111.579 178.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -66.01 -35.6 81.0 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-O 120.795 0.331 . . . . 25.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -90.93 -17.05 27.05 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.921 -0.487 . . . . 50.0 109.976 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -79.38 -34.43 41.96 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 108.944 -0.761 . . . . 50.0 108.944 175.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.0 -32.32 69.59 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 122.025 -0.422 . . . . 25.0 112.057 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 4.9 ptt85 -83.58 -28.08 28.79 Favored 'General case' 0 C--O 1.211 -0.938 0 N-CA-C 109.88 -0.415 . . . . 75.0 109.88 177.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 47.5 mt -68.29 -47.93 75.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 O-C-N 122.098 -0.376 . . . . 50.0 110.318 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 12.4 ptt? -60.1 -27.55 67.11 Favored 'General case' 0 C--O 1.208 -1.113 0 O-C-N 121.997 -0.439 . . . . 50.0 111.74 -177.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 52.3 m -78.66 -16.04 57.78 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.438 -0.505 . . . . 25.0 111.735 -178.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 77.6 mt -92.65 -44.64 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.036 0 N-CA-C 109.455 -0.572 . . . . 50.0 109.455 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 22.3 m -82.76 -12.36 12.15 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 O-C-N 123.998 0.811 . . . . 50.0 111.704 -174.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -155.31 66.02 4.65 Favored Pre-proline 0 CA--C 1.557 1.214 0 CA-C-O 122.054 0.931 . . . . 50.0 111.431 -176.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -71.26 -13.96 31.13 Favored 'Trans proline' 0 CA--C 1.542 0.895 0 C-N-CA 115.202 -2.732 . . . . 50.0 112.867 178.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.24 -8.88 59.83 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 123.435 0.459 . . . . 50.0 110.151 -179.472 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 46.4 mmm-85 59.55 41.87 18.35 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 123.683 0.793 . . . . 50.0 111.748 178.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 82.5 mt -67.77 -25.58 65.68 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.067 0.947 . . . . 50.0 109.172 176.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 86.91 18.15 58.47 Favored Glycine 0 N--CA 1.436 -1.335 0 CA-C-N 115.068 -0.969 . . . . 50.0 112.218 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 16.3 m -143.93 154.56 15.71 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.6 0 N-CA-C 107.384 -1.339 . . . . 50.0 107.384 -176.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 17.8 t -132.86 133.49 58.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 115.349 -0.842 . . . . 50.0 108.926 -177.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.31 158.57 15.39 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 108.177 -1.045 . . . . 25.0 108.177 -178.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -50.57 -43.89 56.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.918 0.866 . . . . 50.0 112.67 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -29.73 70.11 Favored 'General case' 0 C--O 1.211 -0.931 0 CA-C-N 115.857 -0.61 . . . . 50.0 110.934 -178.115 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -72.35 -41.73 66.1 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 119.619 -0.833 . . . . 25.0 112.187 -174.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.439 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 0.6 OUTLIER -66.86 -32.61 73.99 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 118.714 -1.194 . . . . 50.0 110.107 176.269 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 24.2 mm -64.55 -30.48 50.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 108.566 -0.902 . . . . 50.0 108.566 176.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -59.52 -39.98 85.64 Favored 'General case' 0 C--N 1.312 -1.047 0 C-N-CA 120.38 -0.528 . . . . 50.0 110.902 -176.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 815' ' ' PHE . . . . . 0.439 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 2.6 p90 -85.92 -23.99 26.77 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 119.762 -0.775 . . . . 50.0 112.499 176.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.16 -34.72 79.06 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 106.507 -1.664 . . . . 50.0 106.507 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 6.6 t -67.71 -22.43 65.26 Favored 'General case' 0 C--O 1.212 -0.893 0 N-CA-C 112.591 0.589 . . . . 50.0 112.591 177.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -84.08 -25.12 30.04 Favored 'General case' 0 C--O 1.211 -0.941 0 N-CA-C 109.192 -0.67 . . . . 50.0 109.192 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -76.81 -35.07 57.86 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 108.358 -0.978 . . . . 50.0 108.358 176.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 40.6 m -75.33 -37.42 60.75 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.124 -0.944 . . . . 25.0 109.597 177.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . 57.62 31.56 20.55 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.671 1.359 . . . . 25.0 114.671 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -76.38 149.49 36.93 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 109.0 -0.741 . . . . 50.0 109.0 179.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 51.1 p -122.18 37.8 4.29 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.703 1.001 . . . . 25.0 113.703 -173.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -60.53 146.73 43.93 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 121.752 0.787 . . . . 25.0 113.069 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 2.9 p -63.89 -24.84 67.89 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.733 -0.604 . . . . 25.0 112.061 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -69.04 -27.27 65.5 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 122.024 -0.422 . . . . 25.0 110.47 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -64.79 -30.14 71.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.679 0.752 . . . . 50.0 111.171 -177.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -57.51 -50.72 72.16 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-O 122.557 1.17 . . . . 50.0 111.792 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 11.0 p -76.79 -26.91 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 N-CA-C 108.131 -1.062 . . . . 50.0 108.131 -177.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -35.54 80.39 Favored 'General case' 0 C--O 1.207 -1.167 0 O-C-N 121.582 -0.699 . . . . 50.0 111.787 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -57.23 -39.39 75.42 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.973 -0.558 . . . . 25.0 110.597 177.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 97.6 p -64.6 -45.48 86.76 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.518 -0.739 . . . . 50.0 110.703 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -64.51 -41.1 96.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 118.134 0.425 . . . . 50.0 110.378 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -57.8 -32.27 67.38 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-O 121.432 0.634 . . . . 50.0 111.882 -175.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 69.8 mt -65.12 -42.26 93.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 108.763 -0.828 . . . . 50.0 108.763 -178.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.22 -24.68 23.2 Favored 'General case' 0 C--O 1.211 -0.96 0 C-N-CA 120.666 -0.414 . . . . 50.0 111.851 -177.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -89.03 -5.97 57.52 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 112.838 0.681 . . . . 25.0 112.838 -175.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -55.04 -27.87 46.95 Favored Glycine 0 C--N 1.338 0.658 0 N-CA-C 115.612 1.005 . . . . 50.0 115.612 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -71.64 -16.13 62.26 Favored 'General case' 0 C--O 1.211 -0.946 0 O-C-N 121.792 -0.828 . . . . 25.0 111.63 176.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -130.85 -159.84 1.0 Allowed 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 121.053 0.454 . . . . 50.0 110.429 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -125.69 14.42 8.09 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.45 -0.944 . . . . 50.0 108.45 172.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -154.05 176.84 11.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.471 -0.786 . . . . 50.0 110.163 -178.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -137.38 152.97 28.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.309 -0.997 . . . . 50.0 108.309 -175.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 34.6 p -103.47 162.17 13.26 Favored 'General case' 0 C--N 1.314 -0.951 0 O-C-N 121.048 -1.032 . . . . 25.0 111.9 173.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 75.6 mtm -59.81 -29.75 68.44 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 114.556 -1.202 . . . . 50.0 111.099 176.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -79.01 -39.8 33.11 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 122.969 1.366 . . . . 25.0 110.52 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -64.78 -47.05 79.54 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 114.812 -1.086 . . . . 50.0 112.89 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.4 pp -68.48 -17.1 64.11 Favored 'General case' 0 CA--C 1.55 0.97 0 O-C-N 121.25 -0.906 . . . . 50.0 109.572 -178.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.61 -16.62 63.42 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 109.85 -0.426 . . . . 50.0 109.85 177.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -75.21 -24.84 57.8 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.2 0.454 . . . . 50.0 110.168 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -82.65 -46.69 12.94 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 115.433 -0.803 . . . . 50.0 110.436 -178.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.55 84.25 56.04 Favored Pre-proline 0 CA--C 1.546 0.801 0 CA-C-N 115.476 -0.784 . . . . 50.0 109.348 -177.129 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -63.22 -23.11 72.73 Favored 'Trans proline' 0 CA--C 1.55 1.288 0 N-CA-C 118.589 2.496 . . . . 25.0 118.589 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -78.23 -168.62 0.63 Allowed 'Trans proline' 0 C--N 1.365 1.422 1 C-N-CA 112.794 -4.337 . . . . 50.0 112.051 176.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -50.33 -16.5 0.34 Allowed 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 116.037 1.866 . . . . 50.0 116.037 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -53.31 -38.32 63.07 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 121.921 -0.487 . . . . 50.0 111.426 175.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.88 -38.87 92.7 Favored 'General case' 0 C--O 1.21 -0.978 0 C-N-CA 120.462 -0.495 . . . . 25.0 111.895 174.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -68.1 -39.28 82.86 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.868 0.842 . . . . 50.0 109.086 -177.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -67.47 -30.65 70.42 Favored 'General case' 0 CA--C 1.518 -0.285 0 O-C-N 121.885 -0.51 . . . . 50.0 110.606 175.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 51.8 m -73.24 -45.41 56.14 Favored 'General case' 0 C--O 1.211 -0.937 0 N-CA-C 108.48 -0.933 . . . . 50.0 108.48 178.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 21.6 mt -60.45 -38.5 78.16 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.134 0 CA-C-N 118.605 0.638 . . . . 50.0 110.252 178.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.93 -8.08 20.38 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 114.053 1.131 . . . . 25.0 114.053 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -121.53 -37.12 2.94 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.994 -0.441 . . . . 50.0 111.796 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 41.7 ttm -61.63 141.34 57.87 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 122.027 0.918 . . . . 50.0 113.031 -175.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -71.07 141.68 86.77 Favored Pre-proline 0 C--N 1.317 -0.832 0 CA-C-N 115.227 -0.897 . . . . 25.0 112.037 -172.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -73.46 151.79 48.2 Favored 'Trans proline' 0 CA--C 1.513 -0.544 0 CA-C-O 121.87 0.696 . . . . 50.0 112.836 176.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -109.45 142.3 40.65 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.586 -0.734 . . . . 50.0 111.303 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 9.9 t -141.88 135.0 29.06 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 103.276 -2.861 . . . . 25.0 103.276 173.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 173.09 -174.24 45.86 Favored Glycine 0 C--N 1.34 0.769 0 C-N-CA 119.851 -1.166 . . . . 50.0 110.549 -176.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -67.94 -31.64 30.53 Favored 'Trans proline' 0 C--N 1.347 0.492 0 CA-C-N 119.276 1.538 . . . . 50.0 114.803 -178.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -98.53 20.17 13.27 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 122.287 1.042 . . . . 50.0 109.339 -176.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 53.8 p -76.42 156.31 33.25 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 123.718 1.723 . . . . 50.0 114.602 -174.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 3.9 m -138.49 161.19 60.25 Favored Pre-proline 0 C--N 1.308 -1.214 0 N-CA-C 103.587 -2.745 . . . . 50.0 103.587 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -71.7 12.24 0.57 Allowed 'Trans proline' 0 C--N 1.369 1.617 0 N-CA-C 114.975 1.106 . . . . 50.0 114.975 -176.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -138.65 36.52 1.89 Allowed Glycine 0 C--O 1.218 -0.861 0 N-CA-C 109.815 -1.314 . . . . 50.0 109.815 174.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -95.04 139.82 30.86 Favored 'General case' 0 C--O 1.259 1.574 0 C-N-CA 123.09 0.556 . . . . 25.0 109.749 -178.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 57.5 mt -134.95 140.53 45.8 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 107.382 -1.34 . . . . 50.0 107.382 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -89.7 101.21 13.9 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 106.531 -1.655 . . . . 50.0 106.531 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -69.63 -38.05 77.03 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-N 115.158 -0.928 . . . . 50.0 109.291 -177.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 1.1 mmt -62.54 -26.95 68.83 Favored 'General case' 0 C--N 1.316 -0.853 0 O-C-N 121.281 -0.887 . . . . 50.0 109.26 -178.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 8.9 t -79.51 -28.71 41.39 Favored 'General case' 0 C--N 1.346 0.418 0 N-CA-C 113.899 1.074 . . . . 50.0 113.899 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -60.08 -36.56 77.65 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 113.661 0.986 . . . . 50.0 113.661 -177.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 22.3 t -58.86 -30.2 67.54 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.795 -0.762 . . . . 50.0 112.165 176.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 33.9 p -99.54 -18.23 17.49 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 121.415 -0.803 . . . . 25.0 113.138 -176.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -154.52 137.37 15.36 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 112.829 0.677 . . . . 25.0 112.829 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -142.05 152.22 43.14 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 104.163 -2.532 . . . . 50.0 104.163 176.281 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -121.41 -8.11 9.17 Favored 'General case' 0 C--O 1.196 -1.741 0 O-C-N 123.269 0.356 . . . . 50.0 111.024 -175.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -80.74 98.9 1.84 Allowed Glycine 0 CA--C 1.505 -0.537 0 N-CA-C 108.616 -1.794 . . . . 25.0 108.616 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 49.5 mp0 -52.78 151.25 4.6 Favored 'General case' 0 C--O 1.21 -0.986 0 CA-C-N 113.402 -1.399 . . . . 50.0 112.755 178.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 47.8 m -65.65 138.73 58.19 Favored 'General case' 0 C--O 1.242 0.691 0 N-CA-C 113.944 1.09 . . . . 25.0 113.944 -174.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -76.78 -17.6 58.94 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.261 0.553 . . . . 50.0 110.805 -178.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 5.1 tt . . . . . 0 C--O 1.248 1.002 0 N-CA-C 105.845 -1.909 . . . . 50.0 105.845 -179.858 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.907 0 CA-C-O 119.343 -0.698 . . . . 25.0 111.82 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 52.6 p -154.03 -177.96 6.76 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 105.989 -1.856 . . . . 25.0 105.989 178.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 75.2 p -133.83 150.29 51.4 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 106.718 -1.586 . . . . 25.0 106.718 177.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 1.4 mt -64.49 132.36 30.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.663 0.744 . . . . 50.0 111.19 -178.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 31.4 m -85.77 167.78 14.92 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.399 -1.334 . . . . 50.0 107.399 175.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -61.6 -36.85 81.86 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 120.844 -1.16 . . . . 50.0 110.692 178.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -72.21 -22.11 61.31 Favored 'General case' 0 C--O 1.217 -0.651 0 C-N-CA 122.543 0.337 . . . . 50.0 110.583 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.25 -56.73 4.55 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 109.477 -0.564 . . . . 50.0 109.477 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 19.4 ptp -57.72 -25.11 59.92 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 119.703 -0.799 . . . . 50.0 110.917 178.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.57 -54.21 43.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.873 -0.603 . . . . 50.0 109.995 178.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -72.55 -33.59 66.93 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.856 -0.424 . . . . 50.0 109.856 -177.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -60.34 -43.11 96.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.056 0.455 . . . . 50.0 110.567 176.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 2.4 mtp85 -70.87 -41.85 70.84 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.611 -0.515 . . . . 50.0 109.611 178.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.14 93.51 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 113.234 0.828 . . . . 25.0 113.234 -178.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 10.3 t -68.56 -41.88 79.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 118.316 0.507 . . . . 25.0 109.916 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -40.57 94.61 Favored 'General case' 0 C--O 1.206 -1.209 0 N-CA-C 108.032 -1.099 . . . . 50.0 108.032 177.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.47 -29.21 65.7 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.75 1.018 . . . . 50.0 113.75 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -71.52 -35.31 70.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.237 0.541 . . . . 50.0 110.307 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -90.68 -37.53 13.68 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 115.949 -0.568 . . . . 50.0 109.982 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -91.67 70.49 5.77 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 108.755 -0.831 . . . . 50.0 108.755 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -74.19 -5.87 44.45 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.925 -1.034 . . . . 50.0 110.742 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -88.63 -14.21 38.01 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.425 -0.954 . . . . 50.0 108.425 177.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 54.03 36.89 25.67 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 114.458 -1.247 . . . . 25.0 113.03 -179.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 89.9 p -72.62 -21.77 61.06 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.74 -0.663 . . . . 25.0 109.91 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 97.9 -1.8 59.74 Favored Glycine 0 C--O 1.244 0.77 0 N-CA-C 111.204 -0.758 . . . . 50.0 111.204 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 3.9 p -146.43 161.9 39.41 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 123.216 0.607 . . . . 25.0 110.779 -176.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 766' ' ' LEU . . . . . 0.453 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 20.0 mt -143.29 173.41 11.62 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.841 -0.8 . . . . 50.0 108.841 176.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -78.49 175.07 54.99 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.897 -0.881 . . . . 50.0 110.897 -179.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -65.02 -34.85 45.65 Favored 'Trans proline' 0 C--O 1.215 -0.634 0 C-N-CA 121.683 1.589 . . . . 50.0 113.52 -177.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -81.87 -35.5 29.22 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 121.044 -0.262 . . . . 50.0 111.113 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -64.26 -51.46 63.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.08 0.467 . . . . 50.0 110.041 -178.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 771' ' ' PHE . . . . . 0.453 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.2 OUTLIER -63.82 -25.4 68.16 Favored 'General case' 0 C--O 1.215 -0.763 0 O-C-N 121.536 -0.728 . . . . 50.0 112.778 174.599 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -70.66 -42.3 70.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 118.377 0.535 . . . . 50.0 110.172 177.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -73.06 -23.75 60.6 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.919 0.866 . . . . 25.0 110.571 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 14.0 t -64.74 -31.04 72.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.524 -0.762 . . . . 50.0 109.322 175.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . 0.407 ' HB3' ' CG ' ' A' ' 780' ' ' TYR . 14.7 mt -72.3 -33.84 67.71 Favored 'General case' 0 CA--C 1.51 -0.593 0 O-C-N 121.906 -0.496 . . . . 75.0 110.404 177.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.5 mt -58.31 -34.87 51.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.34 -0.615 . . . . 50.0 109.34 -178.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 49.8 m -62.92 -18.11 62.67 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.582 0.586 . . . . 50.0 112.582 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 19.2 mt -94.61 -24.19 17.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.137 0.494 . . . . 50.0 109.946 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 126.17 26.66 1.19 Allowed Glycine 0 C--O 1.224 -0.525 0 N-CA-C 115.023 0.769 . . . . 50.0 115.023 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 780' ' ' TYR . . . . . 0.407 ' CG ' ' HB3' ' A' ' 775' ' ' LEU . 10.4 m-85 -94.44 135.13 36.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 117.93 0.865 . . . . 50.0 108.751 -178.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -88.07 48.95 1.71 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 122.277 1.037 . . . . 50.0 110.557 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 41.5 mt -119.17 79.88 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 115.398 -0.819 . . . . 50.0 109.565 -175.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -120.32 45.32 1.25 Allowed Glycine 0 C--O 1.226 -0.358 0 CA-C-N 115.51 -0.768 . . . . 50.0 112.896 -176.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 68.99 16.6 8.73 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.718 1.207 . . . . 25.0 111.515 -178.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -68.54 161.18 72.3 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 107.421 -1.325 . . . . 50.0 107.421 174.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -67.55 -24.93 41.49 Favored 'Trans proline' 0 C--N 1.35 0.644 1 C-N-CA 113.016 -4.189 . . . . 50.0 112.753 -178.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -76.97 -41.2 44.02 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 108.129 -1.063 . . . . 50.0 108.129 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -61.74 -47.36 90.81 Favored Glycine 0 C--O 1.211 -1.298 0 N-CA-C 110.135 -1.186 . . . . 50.0 110.135 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.88 -29.01 70.24 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 120.987 -1.302 . . . . 50.0 112.608 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -65.23 -44.19 89.02 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.558 -0.534 . . . . 25.0 109.558 178.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -85.49 -19.06 31.79 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-O 122.152 0.977 . . . . 50.0 109.947 -175.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -77.87 -29.23 50.23 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 108.45 -0.944 . . . . 50.0 108.45 175.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -62.12 -34.97 77.33 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 120.896 0.379 . . . . 25.0 110.91 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.38 -32.45 48.89 Favored 'General case' 0 C--O 1.215 -0.745 0 N-CA-C 107.758 -1.201 . . . . 50.0 107.758 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 42.8 mt -66.75 -50.72 63.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.866 -0.42 . . . . 50.0 109.866 -176.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 20.1 ptt? -60.68 -26.14 66.89 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-O 120.865 0.364 . . . . 50.0 111.621 -178.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 44.1 m -78.87 -19.01 52.97 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.484 0.55 . . . . 25.0 112.484 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 67.3 mt -96.38 -45.79 12.97 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.634 0 CA-C-O 121.181 0.515 . . . . 50.0 110.734 -177.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 28.5 m -76.6 -14.67 14.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 120.948 0.404 . . . . 50.0 111.769 -177.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -150.95 68.89 8.3 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.455 -0.793 . . . . 50.0 111.882 -176.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -72.55 -14.52 27.6 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 118.013 -0.858 . . . . 50.0 112.064 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -86.66 -6.03 58.96 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 116.487 -0.324 . . . . 50.0 111.232 -178.24 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 57.98 46.12 17.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.765 0.793 . . . . 50.0 111.618 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 85.8 mt -72.14 -23.09 61.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.471 -1.241 . . . . 50.0 109.093 176.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.01 19.06 59.92 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.656 -0.702 . . . . 50.0 111.62 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 19.9 m -144.22 156.57 15.36 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 CA-C-O 121.179 0.514 . . . . 50.0 110.166 -176.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 11.9 t -130.76 131.82 64.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.17 -0.678 . . . . 50.0 109.17 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 9.0 t -99.01 160.06 14.52 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.057 -0.349 . . . . 25.0 110.057 178.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -49.91 -44.39 50.16 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-O 121.502 0.667 . . . . 50.0 111.034 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.38 -20.85 60.65 Favored 'General case' 0 C--N 1.315 -0.899 0 O-C-N 121.48 -0.762 . . . . 50.0 111.0 -175.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -76.52 -40.35 50.29 Favored 'General case' 0 C--O 1.216 -0.679 0 C-N-CA 119.997 -0.681 . . . . 25.0 110.678 -177.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.426 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 0.8 OUTLIER -69.5 -30.54 68.43 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 119.102 -1.039 . . . . 50.0 109.787 178.48 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 20.9 mm -64.13 -26.96 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 121.355 0.597 . . . . 50.0 110.282 176.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -63.19 -43.44 98.17 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 121.566 -0.709 . . . . 50.0 109.806 -179.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 815' ' ' PHE . . . . . 0.426 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.1 p90 -82.16 -23.59 35.47 Favored 'General case' 0 C--O 1.218 -0.577 0 C-N-CA 119.598 -0.841 . . . . 50.0 112.256 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.06 -32.89 74.37 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.823 -1.177 . . . . 50.0 107.823 -178.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 25.5 t -65.35 -28.8 69.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.65 0.738 . . . . 50.0 110.857 178.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -85.97 -32.73 21.38 Favored 'General case' 0 C--O 1.214 -0.771 0 C-N-CA 122.92 0.488 . . . . 50.0 111.167 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -73.78 -34.41 64.66 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-O 121.054 0.454 . . . . 50.0 112.133 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 14.1 t -73.23 -11.78 60.63 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.921 -1.112 . . . . 25.0 109.083 176.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -88.72 -48.94 7.16 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.338 0.496 . . . . 25.0 112.338 -177.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -159.48 169.8 23.11 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.733 0.646 . . . . 50.0 109.581 -176.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 39.4 m -125.07 124.69 42.45 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 109.046 -0.724 . . . . 25.0 109.046 178.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -69.02 115.85 8.79 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.706 0.765 . . . . 25.0 112.127 -178.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 74.1 p -70.33 -22.38 62.82 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.845 0.683 . . . . 25.0 112.845 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -71.8 -38.42 70.24 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.261 -0.644 . . . . 25.0 109.261 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -63.54 -36.77 84.87 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.389 -0.368 . . . . 50.0 110.342 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -60.04 -50.63 72.98 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.669 0.747 . . . . 50.0 112.052 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 11.3 p -71.58 -30.85 40.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.108 -0.496 . . . . 50.0 109.684 -177.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -39.33 86.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.671 -0.643 . . . . 50.0 110.435 178.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.48 -36.44 78.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.175 -0.466 . . . . 25.0 110.092 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 6.1 t -65.76 -42.67 90.6 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.041 0.386 . . . . 50.0 112.041 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -66.83 -30.28 70.42 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 120.993 -1.067 . . . . 50.0 110.295 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -63.45 -20.59 65.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.957 -0.565 . . . . 50.0 111.53 -179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 71.2 mt -73.74 -49.03 37.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 108.544 -0.91 . . . . 50.0 108.544 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.93 -27.83 26.29 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.041 -0.663 . . . . 50.0 111.168 -172.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -94.76 8.09 43.7 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 112.373 0.508 . . . . 25.0 112.373 -178.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -66.29 -22.71 71.24 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 107.718 -2.153 . . . . 50.0 107.718 172.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -64.24 -28.61 69.85 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.611 0.244 . . . . 25.0 110.877 175.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -129.83 -150.91 0.45 Allowed 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 109.098 -0.705 . . . . 50.0 109.098 -178.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -130.11 15.02 5.71 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 109.274 -0.639 . . . . 50.0 109.274 173.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -158.58 178.76 9.78 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.409 -1.33 . . . . 50.0 107.409 -177.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -134.74 153.38 34.83 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.817 0 N-CA-C 108.815 -0.809 . . . . 50.0 108.815 -177.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 76.4 p -104.91 162.17 13.57 Favored 'General case' 0 CA--C 1.494 -1.176 0 N-CA-C 108.097 -1.075 . . . . 25.0 108.097 175.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 72.9 mtm -59.1 -33.71 71.16 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.003 -0.999 . . . . 50.0 110.082 176.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -73.47 -41.08 63.6 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.786 -0.643 . . . . 25.0 110.457 -178.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -67.41 -48.02 68.55 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.787 -0.642 . . . . 50.0 111.234 -177.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.6 pp -64.33 -26.19 68.37 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.89 -0.724 . . . . 50.0 110.607 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -71.79 -11.48 60.83 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.714 -0.616 . . . . 50.0 112.251 178.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -68.79 -30.0 68.48 Favored 'General case' 0 C--O 1.22 -0.485 0 O-C-N 121.318 -0.864 . . . . 50.0 108.867 176.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -83.96 -39.49 19.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.595 0.712 . . . . 50.0 110.84 -175.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.52 80.14 72.49 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.545 -0.752 . . . . 50.0 109.5 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -61.08 -27.66 84.67 Favored 'Trans proline' 0 CA--C 1.559 1.729 0 N-CA-C 119.214 2.736 . . . . 25.0 119.214 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -78.72 -159.74 0.11 Allowed 'Trans proline' 0 C--N 1.364 1.354 0 C-N-CA 113.962 -3.559 . . . . 50.0 112.84 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.81 -20.34 2.15 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 114.468 1.284 . . . . 50.0 114.468 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -53.55 -39.41 64.71 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.471 0.545 . . . . 50.0 112.471 176.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.96 -38.76 92.04 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-O 120.899 0.381 . . . . 25.0 110.824 178.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -67.68 -37.8 82.84 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.069 0.461 . . . . 50.0 109.839 -177.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -66.94 -31.71 72.47 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.353 -0.61 . . . . 50.0 109.353 175.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 63.2 m -71.43 -43.04 67.46 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 110.056 -0.35 . . . . 50.0 110.056 178.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 24.7 mt -62.59 -38.14 80.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 N-CA-C 109.537 -0.542 . . . . 50.0 109.537 179.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -66.41 -9.41 33.5 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.902 -0.59 . . . . 25.0 112.582 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -116.57 -36.58 3.91 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.116 0.784 . . . . 50.0 113.116 -179.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.07 146.99 45.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.685 0.755 . . . . 50.0 112.696 -175.077 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -73.32 145.23 85.21 Favored Pre-proline 0 N--CA 1.442 -0.837 0 CA-C-N 115.233 -0.894 . . . . 25.0 109.182 -176.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -76.4 149.8 31.6 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 CA-C-O 121.534 0.556 . . . . 50.0 113.018 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -117.27 133.02 56.48 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.835 -0.62 . . . . 50.0 112.211 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 6.1 t -140.32 38.81 1.9 Allowed 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 107.716 -1.216 . . . . 25.0 107.716 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -84.76 -164.78 38.79 Favored Glycine 0 CA--C 1.521 0.439 0 CA-C-N 115.165 -0.925 . . . . 50.0 114.486 -176.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -69.62 -25.24 29.43 Favored 'Trans proline' 0 C--N 1.345 0.369 0 N-CA-C 115.492 1.305 . . . . 50.0 115.492 -176.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -108.6 37.63 2.47 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 107.706 -1.22 . . . . 50.0 107.706 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 79.0 p -81.79 150.4 27.91 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 114.466 1.284 . . . . 50.0 114.466 -176.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 9.7 m -135.87 163.85 47.48 Favored Pre-proline 0 C--N 1.318 -0.766 0 N-CA-C 103.796 -2.668 . . . . 50.0 103.796 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -67.92 -7.61 20.17 Favored 'Trans proline' 0 CA--C 1.537 0.629 0 N-CA-C 115.421 1.277 . . . . 50.0 115.421 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -117.11 33.19 5.14 Favored Glycine 0 C--O 1.228 -0.254 0 N-CA-C 111.589 -0.604 . . . . 50.0 111.589 177.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -92.37 139.81 30.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.773 0.796 . . . . 25.0 112.159 -176.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 51.0 mt -136.16 140.73 43.85 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 107.914 -1.143 . . . . 50.0 107.914 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -90.74 106.79 18.75 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 107.255 -1.387 . . . . 50.0 107.255 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -74.97 -38.12 61.76 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 108.303 -0.999 . . . . 50.0 108.303 -177.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 3.8 ttp -64.63 -21.76 66.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.346 0.593 . . . . 50.0 110.173 -176.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 4.9 t -92.26 -9.7 41.17 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.853 0.686 . . . . 50.0 112.853 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -62.73 -40.48 97.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.837 -0.539 . . . . 50.0 112.373 -177.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 46.3 m -61.66 -15.49 40.31 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.326 0.861 . . . . 50.0 113.326 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 71.6 p -108.79 -15.18 14.45 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.694 0.627 . . . . 25.0 112.694 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -158.81 129.18 5.95 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.05 0.389 . . . . 25.0 112.05 -177.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -140.42 145.06 36.53 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 105.024 -2.213 . . . . 50.0 105.024 175.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -116.05 -6.42 11.95 Favored 'General case' 0 C--O 1.212 -0.894 0 N-CA-C 112.196 0.443 . . . . 50.0 112.196 -178.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -101.26 25.07 29.56 Favored Glycine 0 N--CA 1.453 -0.19 0 CA-C-O 119.779 -0.456 . . . . 25.0 112.749 -178.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -63.03 141.67 58.68 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.29 -1.374 . . . . 50.0 107.29 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 25.1 m -83.02 -20.21 35.47 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.699 0.629 . . . . 25.0 112.699 -175.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -111.74 51.05 0.81 Allowed 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.537 -1.283 . . . . 50.0 107.537 -177.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 49.4 tp . . . . . 0 C--O 1.245 0.821 0 CA-C-N 114.618 -1.174 . . . . 50.0 111.416 -177.065 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.001 0 CA-C-O 119.299 -0.723 . . . . 25.0 111.616 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 22.6 t -56.27 126.58 26.84 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 117.85 0.825 . . . . 25.0 111.759 -176.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 38.5 m -146.57 123.34 11.24 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.17 0.804 . . . . 25.0 113.17 -177.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -74.33 142.55 14.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 123.152 0.581 . . . . 50.0 110.578 175.262 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 19.9 m -81.04 165.53 21.58 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.533 -0.543 . . . . 50.0 109.533 175.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -63.96 -36.55 84.34 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 120.92 -1.113 . . . . 50.0 110.102 178.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.67 -20.06 60.02 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 116.319 -0.401 . . . . 50.0 111.36 178.236 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.05 -58.08 3.54 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 109.441 -0.577 . . . . 50.0 109.441 -179.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 22.6 ptp -56.75 -26.42 57.27 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.961 -0.696 . . . . 50.0 111.471 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -56.09 23.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.962 -0.563 . . . . 50.0 110.148 179.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -72.58 -32.16 65.8 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.351 -0.386 . . . . 50.0 110.545 -177.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -60.15 -49.42 77.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.02 0.438 . . . . 50.0 109.999 175.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -65.08 -42.19 94.34 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 109.733 -0.469 . . . . 50.0 109.733 -179.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.39 -38.93 91.48 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.29 0.478 . . . . 25.0 112.29 -178.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 45.9 m -66.53 -45.46 79.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 118.194 0.452 . . . . 25.0 110.814 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -39.94 91.33 Favored 'General case' 0 C--O 1.208 -1.108 0 N-CA-C 108.69 -0.856 . . . . 50.0 108.69 177.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.71 -31.02 67.72 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.628 0.603 . . . . 50.0 112.628 179.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -68.58 -35.65 77.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.144 -0.347 . . . . 50.0 110.259 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -88.07 -38.6 15.29 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.985 -0.552 . . . . 50.0 109.857 178.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -88.3 68.84 9.04 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 122.512 1.149 . . . . 50.0 108.402 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -75.61 -2.41 29.13 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.546 -1.206 . . . . 50.0 110.744 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -97.89 -0.46 44.94 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.232 -1.025 . . . . 50.0 108.232 178.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 19.8 p80 40.28 40.77 0.88 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.238 1.415 . . . . 25.0 114.24 -177.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 45.4 t -71.36 -23.02 61.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.818 -0.628 . . . . 25.0 110.552 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 92.58 0.61 69.41 Favored Glycine 0 C--O 1.239 0.461 0 N-CA-C 109.838 -1.305 . . . . 50.0 109.838 -177.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -149.95 154.65 38.63 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 123.381 0.672 . . . . 25.0 109.518 -175.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 766' ' ' LEU . . . . . 0.451 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 19.7 mt -137.15 174.44 10.61 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.233 -1.025 . . . . 50.0 108.233 177.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.92 173.77 54.72 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 110.63 -0.988 . . . . 50.0 110.63 -179.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.69 -33.63 34.5 Favored 'Trans proline' 0 C--O 1.222 -0.287 0 CA-C-N 118.426 1.113 . . . . 50.0 113.06 -177.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -79.18 -35.72 41.4 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.867 0.365 . . . . 50.0 110.718 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -64.33 -55.42 21.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.837 0.351 . . . . 50.0 110.285 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 771' ' ' PHE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -58.9 -31.26 68.46 Favored 'General case' 0 C--O 1.213 -0.827 0 N-CA-C 112.608 0.596 . . . . 50.0 112.608 175.106 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -63.95 -45.34 89.58 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.755 0.707 . . . . 50.0 110.223 177.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -72.11 -24.94 61.56 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.257 0.551 . . . . 25.0 110.602 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 50.6 t -65.29 -28.51 69.38 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.921 -0.4 . . . . 50.0 109.921 176.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . 0.405 ' HB3' ' CG ' ' A' ' 780' ' ' TYR . 15.6 mt -70.9 -33.98 71.11 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-O 121.78 0.8 . . . . 75.0 109.966 178.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 62.6 mt -58.83 -35.27 55.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.703 -0.48 . . . . 50.0 109.703 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 19.4 t -62.3 -19.83 63.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.355 -0.384 . . . . 50.0 111.996 178.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 20.3 mt -94.67 -21.61 18.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.708 0.289 . . . . 50.0 110.606 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 120.18 34.37 0.96 Allowed Glycine 0 C--O 1.225 -0.449 0 CA-C-N 115.866 -0.607 . . . . 50.0 114.29 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 780' ' ' TYR . . . . . 0.405 ' CG ' ' HB3' ' A' ' 775' ' ' LEU . 10.1 m-85 -101.47 133.19 46.49 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.804 -0.813 . . . . 50.0 108.804 -179.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -84.24 50.04 1.78 Allowed 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 121.843 0.83 . . . . 50.0 110.35 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 53.6 mt -124.99 80.63 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 108.827 -0.805 . . . . 50.0 108.827 -175.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -128.24 52.64 0.82 Allowed Glycine 0 C--O 1.225 -0.435 0 CA-C-N 115.417 -0.81 . . . . 50.0 113.268 -176.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 67.66 13.96 9.39 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.9 1.28 . . . . 25.0 111.5 -177.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -66.59 153.31 93.61 Favored Pre-proline 0 C--N 1.321 -0.635 0 N-CA-C 105.575 -2.009 . . . . 50.0 105.575 173.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -69.02 -20.2 38.66 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 113.743 -3.705 . . . . 50.0 112.741 -177.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -80.29 -37.3 33.0 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.037 -1.098 . . . . 50.0 108.037 178.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -64.47 -46.08 91.39 Favored Glycine 0 C--O 1.206 -1.652 0 N-CA-C 110.203 -1.159 . . . . 50.0 110.203 178.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -60.34 -35.25 75.21 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 118.054 0.927 . . . . 50.0 111.834 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.71 -36.09 82.72 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.196 -0.298 . . . . 25.0 110.196 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -94.31 -14.15 25.7 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.294 0.569 . . . . 50.0 111.309 -178.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -78.96 -33.28 45.38 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.544 -0.91 . . . . 50.0 108.544 173.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -61.23 -30.84 70.69 Favored 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 111.706 0.262 . . . . 25.0 111.706 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.81 -34.65 45.15 Favored 'General case' 0 C--O 1.208 -1.111 0 CA-C-O 122.053 0.93 . . . . 75.0 109.75 176.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 45.9 mt -64.23 -50.68 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 CA-C-N 114.688 -1.142 . . . . 50.0 109.444 -176.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 17.1 ptt? -62.43 -24.49 67.44 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.91 0.386 . . . . 50.0 111.165 -176.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 62.6 m -78.72 -19.42 52.41 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 112.362 0.505 . . . . 25.0 112.362 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 70.1 mt -94.86 -45.22 13.43 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.497 0 CA-C-O 121.337 0.589 . . . . 50.0 110.029 -177.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 27.0 m -76.11 -14.1 14.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.759 -0.655 . . . . 50.0 112.149 -177.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -149.71 68.27 8.98 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-O 121.746 0.784 . . . . 50.0 111.444 -177.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -74.31 -13.11 23.13 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 117.222 -1.385 . . . . 50.0 111.533 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.84 -7.63 59.4 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 116.185 -0.461 . . . . 50.0 111.158 -178.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 58.87 46.91 13.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.979 0.895 . . . . 50.0 111.861 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 83.1 mt -73.89 -25.17 59.88 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.098 -1.41 . . . . 50.0 108.822 176.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 84.76 18.12 62.24 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.384 -0.825 . . . . 50.0 111.503 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 15.0 m -147.83 160.06 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 108.796 -0.816 . . . . 50.0 108.796 -175.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 10.7 t -129.79 131.86 66.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.015 -0.539 . . . . 50.0 110.31 -178.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 8.0 t -97.7 159.48 14.9 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 109.662 -0.496 . . . . 25.0 109.662 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -50.73 -44.37 58.29 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-O 121.603 0.716 . . . . 50.0 111.285 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -21.09 61.42 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.578 -0.701 . . . . 50.0 110.341 -174.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -76.65 -41.71 44.69 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 119.787 -0.765 . . . . 25.0 110.957 -176.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.4 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 0.7 OUTLIER -67.19 -30.35 70.27 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 119.657 -0.817 . . . . 50.0 110.209 178.283 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 22.0 mm -63.42 -26.51 40.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 121.231 0.539 . . . . 50.0 110.522 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -63.0 -46.4 87.83 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 119.119 -1.033 . . . . 50.0 109.78 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 815' ' ' PHE . . . . . 0.4 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.8 p90 -77.89 -23.51 48.73 Favored 'General case' 0 CA--C 1.51 -0.591 0 O-C-N 120.877 -1.139 . . . . 50.0 111.712 -178.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.38 -31.95 73.24 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.561 -1.274 . . . . 50.0 107.561 -178.004 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 40.8 t -65.84 -24.6 66.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.355 -0.384 . . . . 50.0 111.754 178.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 63.2 mmt-85 -85.71 -27.29 25.39 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 122.079 -0.388 . . . . 50.0 110.371 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -79.68 -35.88 38.49 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.099 -0.704 . . . . 50.0 109.099 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 1.3 m -97.39 27.19 4.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 122.664 1.221 . . . . 25.0 109.711 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -57.56 139.95 52.16 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.274 -1.33 . . . . 25.0 112.106 -176.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -153.37 159.26 42.4 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 105.147 -2.168 . . . . 50.0 105.147 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 75.8 p -121.43 -170.61 2.06 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 123.217 0.607 . . . . 25.0 112.144 -172.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -78.67 155.48 29.46 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 66.4 p -108.56 147.29 31.99 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.581 0.705 . . . . 25.0 109.119 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -67.8 -18.34 64.82 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.671 -0.695 . . . . 25.0 112.25 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.67 -31.08 71.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.035 0.445 . . . . 50.0 110.29 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -59.14 -44.08 92.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.279 0.561 . . . . 50.0 111.465 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 7.3 p -86.26 -30.3 6.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.738 -0.664 . . . . 50.0 109.67 -177.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 15.6 ttm -62.7 -36.92 84.49 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.771 -0.581 . . . . 50.0 109.675 176.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -55.55 -37.62 68.24 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.265 -0.425 . . . . 25.0 110.63 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 15.4 m -70.48 -41.96 72.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.065 0.46 . . . . 50.0 111.078 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -63.86 -36.61 84.49 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-O 121.161 0.505 . . . . 50.0 109.711 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -63.99 -19.5 65.21 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.758 0.651 . . . . 50.0 112.758 -178.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 61.7 mt -81.72 -44.53 20.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.215 -0.661 . . . . 50.0 109.215 178.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.22 -33.0 24.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.356 0.598 . . . . 50.0 110.989 -173.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -108.78 17.54 21.75 Favored 'General case' 0 C--O 1.206 -1.204 0 CA-C-N 115.557 -0.747 . . . . 25.0 112.329 -177.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -66.3 -19.95 68.92 Favored Glycine 0 C--O 1.223 -0.555 0 N-CA-C 107.742 -2.143 . . . . 50.0 107.742 171.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -74.87 -23.84 58.47 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.426 -0.887 . . . . 25.0 111.739 176.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -123.66 -175.6 3.25 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.867 -0.521 . . . . 50.0 110.206 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -106.62 8.76 31.34 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.64 -0.663 . . . . 50.0 109.769 174.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -156.85 178.75 9.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.571 -0.286 . . . . 50.0 110.315 -177.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -136.53 152.12 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 N-CA-C 108.68 -0.859 . . . . 50.0 108.68 -177.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 54.9 p -102.13 160.68 14.3 Favored 'General case' 0 C--N 1.315 -0.912 0 O-C-N 121.365 -0.835 . . . . 25.0 110.125 173.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 66.0 mtm -58.61 -33.67 70.27 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-N 114.78 -1.1 . . . . 50.0 111.137 177.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -74.05 -35.9 64.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.631 0.729 . . . . 25.0 111.319 -178.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -68.65 -49.23 60.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.088 -0.506 . . . . 50.0 111.763 -178.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.26 -27.36 67.89 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.733 -0.605 . . . . 50.0 110.699 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -67.59 -25.7 65.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.423 -0.353 . . . . 50.0 111.455 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . 0.41 ' HG3' ' HG2' ' A' ' 851' ' ' GLU . 0.0 OUTLIER -73.02 -23.44 60.61 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.855 -0.528 . . . . 50.0 110.001 -179.241 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . 0.41 ' HG2' ' HG3' ' A' ' 850' ' ' ARG . 17.7 mm-40 -83.79 -39.91 19.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.516 -0.766 . . . . 50.0 109.785 -176.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.67 80.44 71.93 Favored Pre-proline 0 C--O 1.22 -0.449 0 CA-C-N 115.706 -0.679 . . . . 50.0 109.598 178.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.48 -32.37 73.17 Favored 'Trans proline' 0 CA--C 1.552 1.376 0 N-CA-C 119.011 2.658 . . . . 25.0 119.011 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -76.28 -168.43 0.56 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 115.041 -2.839 . . . . 50.0 112.972 178.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -50.61 -16.48 0.38 Allowed 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 115.632 1.716 . . . . 50.0 115.632 -178.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -52.59 -39.79 61.95 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.849 -0.532 . . . . 50.0 110.878 176.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.27 -41.59 96.86 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 120.486 0.184 . . . . 25.0 110.812 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -68.14 -39.75 82.61 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.98 0.419 . . . . 50.0 110.056 -177.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -65.9 -29.68 70.15 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.471 -0.566 . . . . 50.0 109.471 176.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 36.4 m -73.0 -43.9 61.63 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 109.093 -0.706 . . . . 50.0 109.093 178.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 20.9 mt -62.64 -38.89 82.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.581 -0.526 . . . . 50.0 109.581 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.62 -6.64 11.76 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.197 0.814 . . . . 25.0 113.197 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -124.17 -34.03 3.0 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 114.593 1.331 . . . . 50.0 114.593 178.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 38.1 ttm -59.93 149.66 31.1 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.586 0.708 . . . . 50.0 112.747 -174.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -75.34 141.12 73.2 Favored Pre-proline 0 N--CA 1.441 -0.881 0 CA-C-N 115.733 -0.667 . . . . 25.0 109.299 -173.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -74.85 150.8 39.49 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 CA-C-O 121.419 0.508 . . . . 50.0 111.242 178.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -105.53 133.78 49.72 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 112.968 0.729 . . . . 50.0 112.968 -178.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 55.0 m -130.87 110.85 11.59 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 106.249 -1.759 . . . . 25.0 106.249 174.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -169.69 -173.24 37.02 Favored Glycine 0 C--N 1.323 -0.151 0 C-N-CA 120.086 -1.054 . . . . 50.0 112.286 -178.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.13 -27.3 24.87 Favored 'Trans proline' 0 C--O 1.218 -0.506 0 CA-C-N 119.048 1.424 . . . . 50.0 114.67 -176.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -94.59 16.19 16.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.228 0.537 . . . . 50.0 110.18 -178.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 54.7 p -70.96 151.37 44.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.82 1.295 . . . . 50.0 114.202 -172.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 4.9 m -142.1 160.18 56.14 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 102.571 -3.122 . . . . 50.0 102.571 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -60.32 -16.21 39.74 Favored 'Trans proline' 0 C--N 1.35 0.606 0 N-CA-C 115.028 1.126 . . . . 50.0 115.028 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -110.75 31.65 7.16 Favored Glycine 0 C--O 1.226 -0.352 0 C-N-CA 121.713 -0.279 . . . . 50.0 113.082 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -92.74 136.38 33.29 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.151 0.5 . . . . 25.0 111.568 -179.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 47.7 mt -134.36 140.11 46.1 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.66 -1.237 . . . . 50.0 107.66 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -88.54 108.52 19.46 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 107.34 -1.356 . . . . 50.0 107.34 178.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -79.74 -32.54 41.1 Favored 'General case' 0 CA--C 1.491 -1.301 0 CA-C-N 115.446 -0.797 . . . . 50.0 109.428 -177.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -29.73 70.6 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.201 -1.037 . . . . 50.0 108.201 -178.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.0 t -86.25 -15.14 41.7 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 114.004 1.113 . . . . 50.0 114.004 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -58.04 -43.29 86.76 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 115.115 1.524 . . . . 50.0 115.115 -174.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 69.8 m -66.05 -17.62 64.81 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.594 0.961 . . . . 50.0 113.594 -178.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 13.8 t -109.3 -6.37 15.54 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 111.871 0.323 . . . . 25.0 111.871 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -153.75 119.72 5.36 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.254 0.55 . . . . 25.0 112.397 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -145.21 147.59 32.6 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 105.467 -2.049 . . . . 50.0 105.467 176.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -109.76 -43.0 4.12 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.567 0.58 . . . . 50.0 112.567 -177.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . 56.4 49.57 68.02 Favored Glycine 0 C--O 1.218 -0.898 0 N-CA-C 117.512 1.765 . . . . 25.0 117.512 177.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -67.96 -18.6 64.79 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.726 1.01 . . . . 50.0 113.726 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 17.9 m -78.08 140.55 39.08 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.425 0.528 . . . . 25.0 112.425 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -75.36 -1.29 23.09 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 114.897 1.443 . . . . 50.0 114.897 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.467 -0.777 . . . . 50.0 111.144 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.629 0 CA-C-O 119.402 -0.666 . . . . 25.0 111.695 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 2.3 m -64.44 -26.62 68.53 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.187 0.993 . . . . 25.0 113.491 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 38.5 t -80.45 101.13 8.87 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.348 -0.612 . . . . 25.0 109.348 -179.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 2.3 mt -70.86 131.13 34.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.771 0.796 . . . . 50.0 111.689 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 14.5 m -91.97 175.51 6.85 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 114.619 -1.173 . . . . 50.0 108.34 173.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -65.64 -39.44 91.44 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 120.513 -1.367 . . . . 50.0 110.942 -178.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . 0.517 ' CD ' ' H ' ' A' ' 746' ' ' GLU . 1.5 mp0 -67.68 -37.71 82.71 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 108.297 -1.001 . . . . 50.0 108.297 -178.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -62.42 1.9 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.776 -1.102 . . . . 50.0 110.921 177.104 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.58 -28.8 48.75 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 121.93 -0.481 . . . . 50.0 111.658 178.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.43 -55.27 22.05 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.273 -0.421 . . . . 50.0 110.907 -178.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -69.33 -31.89 70.63 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.881 -0.414 . . . . 50.0 109.881 -177.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -59.41 -42.42 91.76 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.183 0.516 . . . . 50.0 109.938 176.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 33.1 mtp85 -75.05 -41.2 59.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.487 -0.324 . . . . 50.0 110.381 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -66.87 -39.48 87.55 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.966 0.728 . . . . 25.0 112.966 -177.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 15.9 t -67.68 -43.65 79.67 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 118.353 0.524 . . . . 25.0 110.152 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -40.98 89.3 Favored 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 108.489 -0.93 . . . . 50.0 108.489 177.3 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.29 -30.67 67.73 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.495 0.554 . . . . 50.0 112.495 179.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -68.86 -35.19 76.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.039 -0.413 . . . . 50.0 109.994 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -90.31 -33.19 16.2 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 116.22 -0.445 . . . . 50.0 110.993 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -91.3 70.4 6.09 Favored 'General case' 0 CA--C 1.502 -0.888 0 CA-C-O 122.251 1.024 . . . . 50.0 108.751 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -79.33 -1.8 38.53 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.724 -1.125 . . . . 50.0 110.785 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -89.98 -11.46 41.58 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 106.719 -1.586 . . . . 50.0 106.719 175.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 51.36 38.46 21.72 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.218 -1.355 . . . . 25.0 113.104 178.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 96.6 p -78.08 -20.03 53.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.601 -0.727 . . . . 25.0 111.176 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 95.0 2.46 62.49 Favored Glycine 0 C--O 1.246 0.878 0 N-CA-C 110.192 -1.163 . . . . 50.0 110.192 -178.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.3 p -146.37 165.6 28.83 Favored 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 123.504 0.721 . . . . 25.0 109.377 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 766' ' ' LEU . . . . . 0.451 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 15.9 mt -145.18 174.92 10.66 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 106.506 -1.664 . . . . 50.0 106.506 174.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -85.08 178.65 50.93 Favored Glycine 0 N--CA 1.445 -0.756 0 N-CA-C 109.139 -1.584 . . . . 50.0 109.139 179.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -70.96 -29.48 18.1 Favored 'Trans proline' 0 C--O 1.223 -0.259 0 CA-C-N 117.938 0.869 . . . . 50.0 113.75 -175.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -80.37 -37.52 32.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.541 0.686 . . . . 50.0 109.724 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -66.7 -52.99 38.29 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.77 -0.65 . . . . 50.0 110.481 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 771' ' ' PHE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -59.73 -31.61 69.78 Favored 'General case' 0 C--O 1.211 -0.948 0 C-N-CA 120.29 -0.564 . . . . 50.0 112.195 174.329 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -61.45 -47.83 83.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 119.24 0.927 . . . . 50.0 109.625 177.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.04 -25.95 62.88 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.117 0.484 . . . . 25.0 111.498 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 43.8 t -62.84 -32.12 73.27 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.628 -0.508 . . . . 50.0 109.628 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . 0.4 ' HB3' ' CG ' ' A' ' 780' ' ' TYR . 13.2 mt -72.52 -31.6 65.45 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-O 120.971 0.415 . . . . 75.0 111.645 178.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.1 mt -58.92 -35.77 58.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.072 -0.714 . . . . 50.0 109.072 -177.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 23.2 t -64.15 -17.99 64.01 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 112.352 0.501 . . . . 50.0 112.352 178.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 20.1 mt -94.93 -16.78 22.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.998 0.428 . . . . 50.0 110.596 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 115.83 37.18 1.08 Allowed Glycine 0 C--O 1.224 -0.505 0 CA-C-N 115.497 -0.774 . . . . 50.0 114.288 178.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 780' ' ' TYR . . . . . 0.4 ' CG ' ' HB3' ' A' ' 775' ' ' LEU . 11.3 m-85 -104.65 131.08 52.5 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.401 -0.592 . . . . 50.0 109.401 -179.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -84.05 54.47 2.94 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.849 0.833 . . . . 50.0 110.781 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 38.8 mt -126.93 77.24 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.492 0.663 . . . . 50.0 109.568 -176.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -135.13 60.39 0.65 Allowed Glycine 0 C--O 1.226 -0.344 0 CA-C-N 115.941 -0.572 . . . . 50.0 114.258 -177.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 31.4 t30 73.16 8.81 5.32 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.627 1.171 . . . . 25.0 112.266 -179.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -69.92 153.01 95.79 Favored Pre-proline 0 C--N 1.317 -0.814 0 N-CA-C 107.338 -1.356 . . . . 50.0 107.338 176.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -69.64 -19.65 36.42 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 113.619 -3.787 . . . . 50.0 112.807 -176.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -83.87 -36.3 23.51 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.992 -1.114 . . . . 50.0 107.992 177.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -60.44 -56.92 21.72 Favored Glycine 0 C--O 1.212 -1.276 0 N-CA-C 110.82 -0.912 . . . . 50.0 110.82 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 789' ' ' GLU . . . . . 0.403 ' H ' ' HG2' ' A' ' 789' ' ' GLU . 53.7 mm-40 -59.52 -30.65 68.74 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 118.649 1.224 . . . . 50.0 113.157 179.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -64.79 -36.67 85.07 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 121.078 -0.249 . . . . 25.0 110.932 177.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -90.03 -25.29 20.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.789 0.804 . . . . 50.0 110.071 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.95 -34.32 73.26 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 108.1 -1.074 . . . . 50.0 108.1 178.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.95 -34.2 72.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.04 0.448 . . . . 25.0 111.593 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -83.55 -28.36 28.65 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 109.109 -0.7 . . . . 50.0 109.109 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 41.0 mt -68.59 -48.86 69.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.881 -0.415 . . . . 50.0 109.881 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 19.5 ptt? -61.41 -28.82 69.53 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 121.064 0.459 . . . . 50.0 111.241 -177.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 57.2 m -70.6 -20.38 62.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.446 -0.343 . . . . 25.0 111.912 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 71.7 mt -96.01 -44.66 13.0 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.553 0 CA-C-O 121.028 0.442 . . . . 50.0 111.889 -177.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 33.5 m -79.84 -8.25 11.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 113.487 0.921 . . . . 50.0 113.487 -175.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -139.42 64.02 29.9 Favored Pre-proline 0 C--N 1.321 -0.655 0 N-CA-C 107.988 -1.115 . . . . 50.0 107.988 -178.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -78.77 -17.45 12.36 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 116.433 -1.911 . . . . 50.0 115.022 -172.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . 0.503 ' HB2' ' CD1' ' A' ' 804' ' ' LEU . 0.9 OUTLIER -88.48 -10.09 50.25 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 118.198 0.454 . . . . 50.0 109.858 -176.57 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 81.44 42.78 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.112 0 CA-C-O 124.73 2.205 . . . . 50.0 112.15 173.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 804' ' ' LEU . . . . . 0.812 ' H ' HD22 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -80.34 -23.55 40.48 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 110.465 -3.061 . . . . 75.0 112.096 -176.039 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 79.09 18.68 74.11 Favored Glycine 0 C--O 1.243 0.678 0 CA-C-N 114.25 -1.341 . . . . 50.0 111.673 175.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 15.5 m -143.7 149.71 17.77 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 CA-C-O 121.969 0.89 . . . . 50.0 110.119 -175.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 9.5 t -119.88 126.78 75.65 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.527 -0.761 . . . . 50.0 108.972 -178.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 8.3 t -97.35 159.46 14.91 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.827 -0.624 . . . . 25.0 109.459 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -50.7 -44.01 57.84 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-O 121.469 0.652 . . . . 50.0 111.064 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -20.61 61.09 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 121.518 -0.738 . . . . 50.0 110.287 -174.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -77.59 -41.24 39.41 Favored 'General case' 0 C--O 1.217 -0.625 0 C-N-CA 119.885 -0.726 . . . . 25.0 110.949 -177.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.417 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.1 p90 -68.08 -30.02 69.1 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 119.066 -1.054 . . . . 50.0 110.274 178.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 19.7 mm -64.43 -27.64 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-O 121.579 0.704 . . . . 50.0 110.039 176.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -61.73 -41.33 97.5 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.41 0.624 . . . . 50.0 110.573 -179.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 815' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.0 p90 -84.92 -23.34 28.91 Favored 'General case' 0 C--O 1.214 -0.796 0 C-N-CA 119.841 -0.744 . . . . 50.0 112.682 178.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -55.81 -38.94 70.64 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 118.456 0.571 . . . . 50.0 110.555 -174.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 33.6 t -60.61 -30.4 69.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.356 0.598 . . . . 50.0 111.449 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -85.8 -42.33 14.26 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 113.236 0.828 . . . . 50.0 113.236 -177.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -78.69 -39.34 36.89 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 113.393 0.886 . . . . 50.0 113.393 -174.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 14.9 t -97.35 27.55 4.15 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 108.193 -1.04 . . . . 25.0 108.193 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -56.24 -37.17 69.38 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 114.901 -1.045 . . . . 25.0 109.24 176.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -83.64 152.63 24.69 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.068 -1.086 . . . . 50.0 108.068 176.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 7.2 t -152.41 154.11 34.92 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 122.008 -0.433 . . . . 25.0 110.869 -176.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -129.0 163.55 25.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.233 0.539 . . . . 25.0 110.732 -178.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 82.2 p -61.92 -18.42 60.2 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.341 0.867 . . . . 25.0 113.341 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -62.39 -24.94 67.66 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 122.09 -0.381 . . . . 25.0 110.88 176.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -60.41 -33.49 72.57 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-O 120.762 0.315 . . . . 50.0 110.956 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -61.81 -46.94 87.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.611 0.72 . . . . 50.0 111.874 -177.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 15.0 p -77.1 -32.79 19.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.182 -0.673 . . . . 50.0 109.182 -177.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -42.69 89.8 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.87 -0.419 . . . . 50.0 109.87 178.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.58 -36.64 78.99 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 116.193 -0.458 . . . . 25.0 109.797 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 40.8 m -58.88 -41.29 86.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.997 0.427 . . . . 50.0 111.287 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -73.21 -34.76 66.13 Favored 'General case' 0 C--O 1.22 -0.483 0 O-C-N 121.638 -0.664 . . . . 50.0 110.39 178.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -64.12 -18.77 64.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.451 -0.795 . . . . 50.0 112.022 -178.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 68.5 mt -73.85 -49.51 34.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.275 -1.009 . . . . 50.0 108.275 177.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.79 -28.15 26.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.698 0.761 . . . . 50.0 111.575 -171.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -108.58 17.46 21.97 Favored 'General case' 0 C--O 1.206 -1.233 0 CA-C-N 115.701 -0.681 . . . . 25.0 112.231 -177.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -61.69 -26.41 66.78 Favored Glycine 0 C--N 1.316 -0.533 0 N-CA-C 108.346 -1.901 . . . . 50.0 108.346 172.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -70.23 -21.52 63.0 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 176.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -130.51 -178.09 4.63 Favored 'General case' 0 C--O 1.21 -0.988 0 CA-C-N 118.942 0.792 . . . . 50.0 111.023 -177.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -104.45 11.09 34.91 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.932 -0.766 . . . . 50.0 108.932 175.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -157.81 176.98 11.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.315 -0.402 . . . . 50.0 110.252 -176.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -135.7 155.02 35.58 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 N-CA-C 109.02 -0.734 . . . . 75.0 109.02 -177.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 41.0 p -108.41 160.23 16.04 Favored 'General case' 0 C--N 1.313 -1.018 0 O-C-N 121.112 -0.992 . . . . 25.0 109.255 173.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 72.1 mtm -60.44 -35.45 75.85 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.773 -1.103 . . . . 50.0 109.354 175.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -67.41 -30.35 70.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.396 -0.82 . . . . 25.0 112.005 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . 0.499 ' CD ' HH21 ' A' ' 850' ' ' ARG . 47.4 mm-40 -77.5 -55.85 5.03 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.763 -0.375 . . . . 50.0 110.365 177.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.1 pp -63.49 -26.42 68.71 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.397 0.517 . . . . 50.0 112.397 -175.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 36.3 ptt85 -69.76 -13.13 62.13 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 120.22 -0.592 . . . . 50.0 112.496 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . 0.499 HH21 ' CD ' ' A' ' 847' ' ' GLU . 3.2 ptp180 -81.1 -29.17 34.95 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.219 0.533 . . . . 50.0 109.984 -179.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -82.7 -40.83 20.1 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.962 -1.017 . . . . 50.0 110.67 -174.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.75 79.36 56.4 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 108.78 -0.822 . . . . 50.0 108.78 177.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -63.23 -21.76 72.24 Favored 'Trans proline' 0 CA--C 1.553 1.431 0 N-CA-C 119.595 2.883 . . . . 25.0 119.595 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -79.74 -162.66 0.19 Allowed 'Trans proline' 0 C--N 1.363 1.307 1 C-N-CA 113.229 -4.047 . . . . 50.0 111.825 175.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.7 -20.34 0.8 Allowed 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.534 1.309 . . . . 50.0 114.534 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -52.69 -38.24 60.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.008 -0.433 . . . . 50.0 111.791 177.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.11 -43.23 99.03 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-O 120.8 0.333 . . . . 25.0 110.377 178.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -68.54 -41.73 79.45 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.289 0.566 . . . . 50.0 109.559 -176.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -65.08 -26.6 68.3 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.19 -0.459 . . . . 50.0 110.568 176.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 30.8 m -76.44 -44.73 34.47 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.774 -0.454 . . . . 50.0 109.774 177.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 22.6 mt -60.63 -38.64 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 109.487 -0.56 . . . . 50.0 109.487 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.25 -9.88 20.11 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.894 1.072 . . . . 25.0 113.894 178.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -124.1 -24.06 4.45 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 114.214 1.191 . . . . 50.0 114.214 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 2.1 ttm -63.51 144.64 56.82 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.787 -0.449 . . . . 50.0 109.787 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -71.86 144.96 88.69 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 108.235 -1.024 . . . . 25.0 108.235 -176.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -75.22 145.94 31.32 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 CA-C-O 121.475 0.531 . . . . 50.0 111.326 177.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -105.75 128.99 54.04 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 113.184 0.809 . . . . 50.0 113.184 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 4.0 m -135.99 60.43 1.68 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.68 0.752 . . . . 25.0 109.31 177.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -111.39 -168.75 18.68 Favored Glycine 0 CA--C 1.519 0.314 0 CA-C-N 115.574 -0.739 . . . . 50.0 112.695 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -70.16 -28.82 22.85 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 CA-C-N 118.934 1.367 . . . . 50.0 114.88 -178.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -92.64 19.11 7.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.541 0.686 . . . . 50.0 110.186 -178.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 78.6 p -73.76 148.35 42.64 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 122.752 1.263 . . . . 50.0 114.328 -172.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 13.0 m -137.27 162.33 55.89 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 104.714 -2.328 . . . . 50.0 104.714 -177.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -74.78 47.98 1.82 Allowed 'Trans proline' 0 CA--C 1.546 1.112 0 C-N-CA 120.813 1.009 . . . . 50.0 114.291 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -178.44 31.43 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 N-CA-C 108.999 -1.64 . . . . 50.0 108.999 178.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -98.48 139.72 33.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.405 -0.898 . . . . 25.0 111.303 -176.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 45.1 mt -135.45 145.21 46.97 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 106.602 -1.629 . . . . 50.0 106.602 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -93.99 111.14 22.81 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 107.83 -1.174 . . . . 50.0 107.83 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -82.96 -32.35 27.12 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 115.919 -0.582 . . . . 50.0 110.367 -176.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 1.9 mtt -65.78 -31.24 72.1 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 107.834 -1.173 . . . . 50.0 107.834 -178.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.0 t -87.42 -16.56 34.52 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 114.126 1.158 . . . . 50.0 114.126 -178.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -53.53 -43.38 68.32 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.592 0.96 . . . . 50.0 113.592 -174.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 75.2 m -67.01 -17.53 64.96 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.655 0.983 . . . . 50.0 113.655 -178.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 43.5 p -91.63 -27.82 17.89 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.716 -0.393 . . . . 25.0 111.45 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -156.64 118.85 3.94 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.853 1.057 . . . . 25.0 113.853 -178.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.28 153.14 36.79 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.634 -1.247 . . . . 50.0 107.634 173.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -107.12 -37.1 6.39 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 120.68 -0.408 . . . . 50.0 111.577 177.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . 75.19 26.28 66.62 Favored Glycine 0 CA--C 1.518 0.238 0 N-CA-C 118.744 2.258 . . . . 25.0 118.744 172.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -66.79 155.61 37.75 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 117.902 0.851 . . . . 50.0 111.52 -179.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 68.4 m -158.59 169.57 24.12 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 106.219 -1.771 . . . . 25.0 106.219 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -100.8 17.85 20.98 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.256 0.622 . . . . 50.0 110.963 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 72.1 mt . . . . . 0 C--O 1.252 1.186 0 CA-C-O 117.973 -1.013 . . . . 50.0 112.059 -176.969 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.621 0 N-CA-C 111.735 -0.546 . . . . 25.0 111.735 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 47.3 t -59.85 142.9 52.63 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 117.716 0.758 . . . . 25.0 110.693 -178.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 70.0 m -74.58 141.68 44.72 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.246 -0.888 . . . . 25.0 111.277 -176.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -62.59 141.45 17.94 Favored 'Isoleucine or valine' 0 C--O 1.245 0.819 0 CA-C-N 114.616 -1.175 . . . . 50.0 111.308 179.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 14.8 m -81.38 163.47 22.8 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.001 -0.545 . . . . 50.0 109.783 176.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -63.24 -33.38 75.38 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.523 -0.735 . . . . 50.0 109.877 178.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -74.98 -23.6 58.29 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.493 -0.322 . . . . 50.0 111.289 177.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 747' ' ' GLN . . . . . 0.412 HE21 ' HA ' ' A' ' 747' ' ' GLN . 0.3 OUTLIER -75.05 -56.07 5.11 Favored 'General case' 0 CA--C 1.502 -0.891 0 N-CA-C 109.242 -0.651 . . . . 50.0 109.242 -178.597 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 25.4 ptp -56.99 -27.0 61.1 Favored 'General case' 0 C--O 1.22 -0.491 0 C-N-CA 119.73 -0.788 . . . . 50.0 110.66 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -61.95 -53.44 55.66 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.152 -0.476 . . . . 50.0 109.806 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -74.54 -33.78 62.81 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 109.088 -0.708 . . . . 50.0 109.088 -175.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -59.0 -47.05 86.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.388 0.613 . . . . 50.0 109.981 176.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -69.78 -39.75 76.45 Favored 'General case' 0 C--O 1.213 -0.833 0 O-C-N 121.702 -0.624 . . . . 50.0 110.047 -178.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -66.78 -38.99 87.63 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-O 118.753 -0.642 . . . . 25.0 112.695 -178.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 69.4 m -71.16 -41.19 70.7 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 118.495 0.589 . . . . 25.0 110.648 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -43.63 85.8 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.776 -1.194 . . . . 50.0 107.776 176.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.31 -33.35 69.6 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 113.111 0.782 . . . . 50.0 113.111 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -64.65 -38.21 90.23 Favored 'General case' 0 CA--C 1.509 -0.622 0 O-C-N 121.618 -0.676 . . . . 50.0 109.557 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -84.31 -39.0 19.7 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 115.747 -0.661 . . . . 50.0 109.478 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -89.13 70.8 8.39 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 123.991 1.853 . . . . 50.0 109.959 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 45.2 mtm180 -74.93 -8.46 56.54 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 113.187 -1.824 . . . . 50.0 111.036 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -92.56 2.3 56.77 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 124.177 0.923 . . . . 50.0 108.719 179.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 21.7 p80 39.01 41.17 0.53 Allowed 'General case' 0 C--O 1.241 0.637 0 N-CA-C 114.766 1.395 . . . . 25.0 114.766 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 58.0 m -76.33 -24.33 54.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 122.258 1.028 . . . . 25.0 110.484 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 94.31 0.62 65.17 Favored Glycine 0 C--O 1.246 0.855 0 N-CA-C 109.881 -1.288 . . . . 50.0 109.881 -177.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -148.0 154.08 39.82 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 123.609 0.764 . . . . 25.0 109.951 -175.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 766' ' ' LEU . . . . . 0.41 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 13.6 mt -138.27 171.62 14.12 Favored 'General case' 0 CA--C 1.507 -0.68 0 N-CA-C 109.207 -0.664 . . . . 50.0 109.207 178.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -78.77 171.04 55.05 Favored Glycine 0 C--O 1.244 0.752 0 N-CA-C 110.835 -0.906 . . . . 50.0 110.835 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -66.7 -31.64 39.61 Favored 'Trans proline' 0 C--O 1.213 -0.735 0 C-N-CA 120.766 0.977 . . . . 50.0 112.351 -176.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -80.9 -37.95 28.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.28 0.562 . . . . 50.0 110.471 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -60.63 -53.53 56.39 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 116.225 -0.443 . . . . 50.0 110.532 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 771' ' ' PHE . . . . . 0.41 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -63.22 -28.43 70.03 Favored 'General case' 0 C--O 1.213 -0.868 0 N-CA-C 113.47 0.915 . . . . 50.0 113.47 174.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -67.46 -44.26 79.06 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 119.295 0.952 . . . . 50.0 110.93 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.44 -25.88 62.5 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.733 0.777 . . . . 25.0 109.893 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 51.5 t -61.75 -34.78 76.44 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.466 -0.568 . . . . 50.0 109.466 177.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 10.8 mt -66.65 -32.08 73.16 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-O 120.903 0.383 . . . . 75.0 110.834 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 57.9 mt -59.16 -33.71 51.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 N-CA-C 109.523 -0.547 . . . . 50.0 109.523 -176.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 76.5 p -62.97 -19.95 64.8 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 122.088 -0.383 . . . . 50.0 111.862 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 12.9 mt -93.81 -15.18 25.36 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.388 0.675 . . . . 50.0 111.054 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 117.5 24.7 3.37 Favored Glycine 0 C--O 1.218 -0.868 0 N-CA-C 115.624 1.01 . . . . 50.0 115.624 177.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 780' ' ' TYR . . . . . 0.471 ' HH ' ' CD ' ' A' ' 819' ' ' GLU . 8.7 m-85 -93.66 140.31 29.79 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.794 -0.817 . . . . 50.0 108.794 -178.1 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -94.11 42.45 1.1 Allowed 'General case' 0 N--CA 1.476 0.852 0 CA-C-O 122.585 1.183 . . . . 50.0 110.808 178.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 58.5 mt -115.22 82.33 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 N-CA-C 107.951 -1.129 . . . . 50.0 107.951 -178.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -130.72 58.73 0.7 Allowed Glycine 0 C--O 1.223 -0.575 0 N-CA-C 114.958 0.743 . . . . 50.0 114.958 -176.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 65.75 10.57 6.91 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.127 0.971 . . . . 25.0 112.221 -178.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -67.5 150.2 97.97 Favored Pre-proline 0 C--N 1.318 -0.766 0 N-CA-C 104.679 -2.341 . . . . 50.0 104.679 174.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -67.12 -17.93 50.91 Favored 'Trans proline' 0 C--O 1.217 -0.574 0 C-N-CA 115.698 -2.402 . . . . 50.0 113.871 -178.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -85.11 -36.33 21.21 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.206 -1.035 . . . . 50.0 108.206 178.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -65.8 -39.96 95.39 Favored Glycine 0 C--O 1.208 -1.5 0 N-CA-C 109.31 -1.516 . . . . 50.0 109.31 177.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.38 -35.49 79.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.652 -0.91 . . . . 50.0 111.156 177.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -65.42 -32.01 73.41 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.68 0.622 . . . . 25.0 112.68 -178.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -93.36 -21.15 19.72 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 121.76 0.791 . . . . 50.0 110.566 177.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -73.82 -34.63 64.65 Favored 'General case' 0 C--N 1.313 -0.982 0 O-C-N 121.069 -1.019 . . . . 50.0 108.854 176.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -58.63 -32.73 69.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.612 0.72 . . . . 25.0 111.357 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -85.22 -28.17 25.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.475 -0.766 . . . . 50.0 109.992 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 35.5 mt -67.43 -47.29 81.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 O-C-N 123.235 0.334 . . . . 50.0 110.343 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 24.0 ptm -61.03 -26.46 67.63 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.986 -0.446 . . . . 50.0 111.728 -178.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 59.4 m -74.21 -17.74 60.85 Favored 'General case' 0 C--O 1.214 -0.806 0 N-CA-C 111.707 0.262 . . . . 25.0 111.707 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 83.3 mt -94.99 -44.99 13.39 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.532 0 CA-C-O 122.576 1.179 . . . . 50.0 110.573 -177.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 26.2 m -77.42 -16.28 14.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 114.73 -1.123 . . . . 50.0 112.082 -177.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -152.84 64.83 5.49 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.029 0.831 . . . . 50.0 112.465 -175.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -71.45 -12.85 29.98 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 118.33 -0.647 . . . . 50.0 112.563 178.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.77 -12.94 58.35 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 122.997 0.519 . . . . 50.0 109.827 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 61.0 45.85 8.94 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 121.732 0.777 . . . . 50.0 110.775 179.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 85.7 mt -70.53 -23.68 62.68 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 113.978 -1.464 . . . . 50.0 109.291 176.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 86.03 16.46 63.02 Favored Glycine 0 CA--C 1.508 -0.38 0 CA-C-N 114.681 -1.145 . . . . 50.0 111.526 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 9.5 m -145.75 154.84 13.12 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 N-CA-C 109.978 -0.379 . . . . 50.0 109.978 -176.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 16.6 t -127.62 132.94 68.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.057 -0.72 . . . . 50.0 109.057 -179.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.16 161.85 14.1 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.976 -0.379 . . . . 25.0 109.976 178.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -52.78 -43.25 65.73 Favored 'General case' 0 C--O 1.204 -1.332 0 CA-C-O 121.496 0.665 . . . . 50.0 109.925 178.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -20.24 59.87 Favored 'General case' 0 C--N 1.314 -0.946 0 O-C-N 121.662 -0.649 . . . . 50.0 110.281 -172.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -76.4 -42.59 43.79 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 119.945 -0.702 . . . . 25.0 110.994 -177.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.409 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.1 p90 -67.49 -29.53 68.98 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 119.005 -1.078 . . . . 50.0 110.051 178.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 19.9 mm -65.04 -25.56 37.93 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.618 0 O-C-N 121.516 -0.74 . . . . 50.0 110.705 176.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.01 -40.3 96.05 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.101 -0.999 . . . . 50.0 109.867 -178.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 815' ' ' PHE . . . . . 0.409 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 4.7 p90 -84.63 -19.88 32.25 Favored 'General case' 0 CA--C 1.5 -0.977 0 C-N-CA 119.411 -0.916 . . . . 50.0 112.442 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -60.27 -34.61 73.98 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 118.562 0.619 . . . . 50.0 109.895 -175.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 38.6 t -65.38 -27.86 68.86 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.702 0.763 . . . . 50.0 110.945 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -86.94 -27.13 23.52 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.078 -0.51 . . . . 50.0 110.845 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . 0.471 ' CD ' ' HH ' ' A' ' 780' ' ' TYR . 0.2 OUTLIER -78.02 -26.21 48.36 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 122.798 0.439 . . . . 50.0 110.171 -177.181 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 27.2 m -62.83 -28.78 70.25 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 107.3 -1.37 . . . . 25.0 107.3 174.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . 57.76 14.12 2.33 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 116.184 1.92 . . . . 25.0 116.184 175.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -81.34 163.39 22.91 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.938 0.399 . . . . 50.0 110.416 178.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 43.9 p -121.39 124.37 44.37 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.697 0.629 . . . . 25.0 112.697 -177.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -139.56 163.43 32.58 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 105.883 -1.895 . . . . 25.0 105.883 176.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 4.9 t -74.08 -24.71 59.53 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.807 1.41 . . . . 25.0 114.807 -174.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -76.56 -37.25 56.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 118.146 0.43 . . . . 25.0 110.065 -175.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -57.58 -37.81 73.78 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.365 -0.379 . . . . 75.0 110.943 178.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -60.04 -53.17 60.9 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-O 121.71 0.767 . . . . 50.0 111.666 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 12.6 p -75.06 -31.18 24.44 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.095 0 CA-C-N 115.54 -0.755 . . . . 50.0 111.061 -176.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 10.1 ttm -67.22 -42.5 83.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.998 -0.439 . . . . 50.0 110.319 177.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.1 -36.92 75.98 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.658 -0.867 . . . . 25.0 108.658 178.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 23.9 m -65.54 -45.29 84.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.491 0.662 . . . . 50.0 111.503 -178.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -63.71 -42.14 98.0 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.834 -0.541 . . . . 50.0 109.985 177.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -58.25 -27.49 64.03 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 113.962 1.097 . . . . 50.0 113.962 -176.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 42.3 mt -74.56 -42.23 48.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.532 -0.914 . . . . 50.0 108.532 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.54 -28.07 22.21 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 114.49 1.292 . . . . 50.0 114.49 -174.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -69.53 -44.09 71.7 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 107.809 -1.182 . . . . 25.0 107.809 -177.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 25.39 -83.7 0.0 OUTLIER Glycine 0 N--CA 1.443 -0.882 0 N-CA-C 118.586 2.194 . . . . 50.0 118.586 -175.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.11 -8.85 57.64 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 113.928 1.085 . . . . 25.0 113.928 -175.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -110.5 139.75 45.43 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 106.853 -1.536 . . . . 50.0 106.853 176.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -80.97 10.41 5.16 Favored 'General case' 0 C--N 1.319 -0.761 0 O-C-N 121.902 -0.499 . . . . 50.0 111.514 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -150.07 174.13 13.09 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 109.329 -0.619 . . . . 50.0 109.329 -176.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 1.4 tp -128.74 152.46 36.93 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 N-CA-C 107.724 -1.214 . . . . 50.0 107.724 -175.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 66.9 p -106.81 158.76 16.75 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 120.46 -1.4 . . . . 25.0 107.691 174.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 76.2 mtm -57.47 -37.87 73.58 Favored 'General case' 0 C--O 1.21 -0.996 0 N-CA-C 109.707 -0.479 . . . . 50.0 109.707 176.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -62.58 -46.24 89.21 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.621 0.724 . . . . 25.0 112.577 -178.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.75 -47.71 65.59 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.057 -0.974 . . . . 50.0 111.012 -177.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.8 pp -66.67 -22.71 66.09 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 119.458 -0.897 . . . . 50.0 110.759 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -72.24 -12.73 61.29 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 113.193 0.812 . . . . 50.0 113.193 177.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -77.71 -25.15 49.15 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 121.503 0.668 . . . . 50.0 109.466 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -86.01 -40.46 15.78 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.198 -0.91 . . . . 50.0 109.793 -176.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.47 79.25 74.24 Favored Pre-proline 0 N--CA 1.45 -0.436 0 CA-C-N 116.569 -0.287 . . . . 50.0 110.55 -178.512 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.73 -31.07 69.9 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 N-CA-C 118.649 2.519 . . . . 25.0 118.649 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -76.42 -170.26 0.85 Allowed 'Trans proline' 0 C--N 1.363 1.32 0 C-N-CA 113.83 -3.647 . . . . 50.0 112.345 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -51.19 -16.0 0.44 Allowed 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.623 1.342 . . . . 50.0 114.623 -179.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -50.46 -40.31 50.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 118.972 0.806 . . . . 50.0 110.729 173.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -67.84 -39.52 83.84 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-O 120.732 0.301 . . . . 25.0 110.701 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -64.56 -42.05 95.92 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.624 -0.51 . . . . 50.0 109.624 -179.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -66.99 -31.63 72.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.083 -0.508 . . . . 50.0 109.669 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 35.8 m -67.84 -47.67 68.33 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 108.112 -1.07 . . . . 50.0 108.112 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 24.9 mt -61.6 -38.38 80.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-O 121.232 0.539 . . . . 50.0 110.345 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -67.83 -7.99 32.47 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.002 1.112 . . . . 25.0 114.002 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -117.74 -27.81 6.15 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.521 -0.737 . . . . 50.0 112.194 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 864' ' ' MET . . . . . 0.406 ' HG3' ' HB2' ' A' ' 882' ' ' PHE . 16.1 ttm -66.42 142.65 57.52 Favored 'General case' 0 C--O 1.205 -1.27 0 N-CA-C 113.721 1.008 . . . . 50.0 113.721 -173.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -70.77 141.41 87.27 Favored Pre-proline 0 C--N 1.314 -0.953 0 CA-C-N 116.232 -0.44 . . . . 25.0 109.956 -177.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -74.4 148.21 37.87 Favored 'Trans proline' 0 C--O 1.223 -0.245 0 CA-C-O 121.618 0.591 . . . . 50.0 113.276 177.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -110.49 126.95 54.9 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.346 0.869 . . . . 50.0 113.346 -177.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 77.3 p -128.11 46.17 2.62 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 120.918 0.39 . . . . 25.0 110.493 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -93.01 -168.3 39.19 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 121.146 -0.55 . . . . 50.0 113.622 -175.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -70.02 -26.32 26.47 Favored 'Trans proline' 0 C--O 1.214 -0.695 0 C-N-CA 121.559 1.506 . . . . 50.0 115.613 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -107.4 33.79 3.84 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 107.317 -1.364 . . . . 50.0 107.317 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 25.7 p -78.17 146.96 34.73 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 122.132 0.968 . . . . 50.0 112.634 -175.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 18.0 m -131.42 164.09 44.95 Favored Pre-proline 0 C--N 1.318 -0.762 0 N-CA-C 105.711 -1.959 . . . . 50.0 105.711 178.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -57.82 -18.09 32.79 Favored 'Trans proline' 0 CA--C 1.536 0.583 0 N-CA-C 115.622 1.355 . . . . 50.0 115.622 -176.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -117.27 35.96 3.91 Favored Glycine 0 C--O 1.223 -0.593 0 CA-C-O 121.191 0.328 . . . . 50.0 112.973 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -90.84 137.55 32.27 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 112.953 0.723 . . . . 25.0 112.953 -178.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 44.1 mt -136.69 140.03 42.39 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.3 -1.0 . . . . 50.0 108.3 -177.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -90.32 103.14 15.85 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 122.613 1.197 . . . . 50.0 108.639 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -75.69 -30.72 59.43 Favored 'General case' 0 C--O 1.198 -1.633 0 CA-C-N 114.931 -1.031 . . . . 50.0 109.857 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 2.9 mmm -67.8 -30.46 69.89 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 108.317 -0.994 . . . . 50.0 108.317 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 2.5 t -90.29 -12.25 38.4 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.312 1.054 . . . . 50.0 113.818 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . 0.406 ' HB2' ' HG3' ' A' ' 864' ' ' MET . 1.9 t80 -60.52 -50.6 72.92 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 114.311 1.226 . . . . 50.0 114.311 -173.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 28.5 m -66.95 -16.73 64.53 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.254 0.835 . . . . 50.0 113.254 -178.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 68.8 p -99.35 -10.68 21.99 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.884 0.698 . . . . 25.0 112.884 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -152.29 79.53 1.24 Allowed 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.313 0.578 . . . . 25.0 110.93 -177.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 5.3 mp -90.05 134.94 33.95 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.264 -1.384 . . . . 50.0 107.264 176.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -111.39 -14.51 13.74 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.304 1.224 . . . . 50.0 114.304 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -105.04 8.09 45.11 Favored Glycine 0 C--O 1.217 -0.935 0 CA-C-O 119.891 -0.394 . . . . 25.0 114.02 -177.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -125.93 21.39 7.55 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 106.361 -1.718 . . . . 50.0 106.361 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 1.2 m -97.33 -20.94 17.51 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 115.002 -0.999 . . . . 25.0 112.085 -178.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -138.52 20.26 2.72 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 107.726 -1.213 . . . . 50.0 107.726 -177.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.245 0.857 0 N-CA-C 108.488 -0.93 . . . . 50.0 108.488 -178.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.071 0 N-CA-C 111.591 -0.604 . . . . 25.0 111.591 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 16.3 t -153.85 168.13 27.37 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 106.325 -1.731 . . . . 25.0 106.325 178.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 8.7 t -148.31 150.82 34.31 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 106.486 -1.672 . . . . 25.0 106.486 178.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 2.1 mt -69.3 128.57 32.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 122.625 1.202 . . . . 50.0 111.373 -177.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 2.1 m -84.67 169.26 14.5 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 113.637 -1.62 . . . . 50.0 108.261 175.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -64.01 -35.02 79.33 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.727 -1.233 . . . . 50.0 110.5 178.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -74.14 -22.86 59.27 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 122.73 0.412 . . . . 50.0 110.961 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.59 -57.34 4.21 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 121.239 0.543 . . . . 50.0 109.56 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 24.2 ptp -57.11 -25.97 59.69 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 120.15 -0.62 . . . . 50.0 110.925 178.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -56.22 20.92 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.203 -0.453 . . . . 50.0 109.982 179.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -71.67 -32.36 67.79 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 110.025 -0.361 . . . . 50.0 110.025 -177.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -58.63 -48.47 80.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.37 0.605 . . . . 50.0 109.765 175.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -66.67 -42.86 85.92 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 116.122 -0.49 . . . . 50.0 110.336 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.37 -40.02 93.0 Favored 'General case' 0 C--O 1.212 -0.889 0 C-N-CA 120.994 -0.282 . . . . 25.0 111.25 -177.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 47.5 m -66.22 -44.23 84.42 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 117.904 0.32 . . . . 25.0 110.801 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -40.68 96.47 Favored 'General case' 0 C--O 1.208 -1.107 0 N-CA-C 108.906 -0.775 . . . . 50.0 108.906 177.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.69 -34.74 76.17 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 112.642 0.608 . . . . 50.0 112.642 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -67.11 -36.76 82.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.841 0.829 . . . . 50.0 110.126 -178.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -84.58 -35.12 22.98 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 115.776 -0.647 . . . . 50.0 110.07 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -91.48 71.05 5.97 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 122.958 1.361 . . . . 50.0 109.148 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 46.4 mtm-85 -69.85 -9.58 55.34 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 113.481 -1.691 . . . . 50.0 110.51 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -92.95 -4.66 52.33 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.4 0.619 . . . . 50.0 109.628 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 20.4 p80 42.41 38.43 1.21 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.029 1.332 . . . . 25.0 113.566 -175.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 42.1 t -70.08 -25.25 63.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.982 0.896 . . . . 25.0 109.922 178.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 94.2 1.18 64.97 Favored Glycine 0 N--CA 1.451 -0.3 0 N-CA-C 109.015 -1.634 . . . . 50.0 109.015 -178.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 2.1 p -145.11 155.26 43.21 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 123.464 0.705 . . . . 25.0 110.096 -176.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 766' ' ' LEU . . . . . 0.482 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 14.5 mt -140.02 169.5 17.59 Favored 'General case' 0 CA--C 1.503 -0.857 0 N-CA-C 108.93 -0.767 . . . . 50.0 108.93 176.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -75.5 171.14 54.34 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.018 -0.833 . . . . 50.0 111.018 -178.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -64.63 -36.73 40.62 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 CA-C-N 118.398 1.099 . . . . 50.0 112.852 -177.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -78.7 -34.4 46.1 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.003 0.43 . . . . 50.0 111.257 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -62.65 -56.24 19.56 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.531 -0.544 . . . . 50.0 109.531 178.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 771' ' ' PHE . . . . . 0.482 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -59.51 -32.84 70.66 Favored 'General case' 0 C--O 1.217 -0.639 0 N-CA-C 112.984 0.735 . . . . 50.0 112.984 174.724 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -60.76 -47.85 84.43 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 119.137 0.88 . . . . 75.0 109.765 176.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.04 -24.58 62.37 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.67 0.748 . . . . 25.0 111.431 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 50.7 t -64.23 -34.62 78.51 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.736 -0.838 . . . . 50.0 108.736 176.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 9.4 mt -67.95 -34.26 76.23 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 121.822 -0.549 . . . . 75.0 109.728 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 57.3 mt -60.23 -31.49 48.37 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 CA-C-O 121.336 0.589 . . . . 50.0 110.085 -177.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 15.7 m -62.65 -21.13 65.47 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.435 0.531 . . . . 50.0 112.435 178.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 16.0 mt -94.6 -17.11 22.64 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 115.611 -0.722 . . . . 50.0 110.775 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 116.64 29.55 2.23 Favored Glycine 0 C--O 1.225 -0.424 0 CA-C-N 115.226 -0.897 . . . . 50.0 114.955 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -95.29 141.57 28.71 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.133 -1.432 . . . . 50.0 107.133 -178.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -96.59 39.63 1.16 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.15 0.976 . . . . 50.0 108.793 177.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 58.9 mt -113.15 98.46 7.04 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 N-CA-C 106.913 -1.514 . . . . 50.0 106.913 -177.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -131.15 -151.74 7.09 Favored Glycine 0 C--N 1.314 -0.654 0 N-CA-C 107.207 -2.357 . . . . 50.0 107.207 -178.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -89.33 12.47 16.09 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.596 0.712 . . . . 25.0 109.204 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.82 152.58 95.09 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 104.894 -2.261 . . . . 50.0 104.894 173.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -68.52 -20.86 40.86 Favored 'Trans proline' 0 CA--C 1.516 -0.399 0 N-CA-C 114.518 0.93 . . . . 50.0 114.518 -171.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -79.08 -39.26 34.25 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.794 -1.188 . . . . 50.0 107.794 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -67.58 -45.1 79.82 Favored Glycine 0 C--O 1.203 -1.791 0 N-CA-C 108.737 -1.745 . . . . 50.0 108.737 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.21 -37.4 74.75 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 117.148 0.474 . . . . 50.0 111.155 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -61.78 -37.37 84.07 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.098 0.407 . . . . 25.0 112.098 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -91.3 -25.24 19.54 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.344 0.592 . . . . 50.0 110.51 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.5 -34.17 77.32 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.881 -1.155 . . . . 50.0 107.881 177.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -60.4 -27.05 67.14 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 121.516 0.674 . . . . 25.0 110.79 177.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -80.34 -43.58 20.93 Favored 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 108.389 -0.967 . . . . 50.0 108.389 178.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 65.2 mt -59.43 -49.59 83.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 113.956 -1.474 . . . . 50.0 110.376 -176.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 23.4 ptm -59.95 -29.21 68.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.845 0.355 . . . . 50.0 111.363 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 42.6 m -76.44 -16.84 59.59 Favored 'General case' 0 C--N 1.32 -0.699 0 O-C-N 122.203 -0.311 . . . . 25.0 111.788 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 68.4 mt -98.01 -47.73 12.37 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.699 0 CA-C-O 120.994 0.426 . . . . 50.0 110.048 -177.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 29.2 m -74.56 -16.04 16.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.271 -0.422 . . . . 50.0 111.82 -178.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -147.36 64.67 8.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 114.525 1.306 . . . . 50.0 114.525 -176.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -75.74 -4.63 15.48 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 117.342 -1.305 . . . . 50.0 111.078 175.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.39 -14.32 38.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.754 -0.657 . . . . 50.0 111.545 -177.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 61.01 49.79 5.5 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 122.082 0.944 . . . . 50.0 110.91 -176.068 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 67.6 mt -70.53 -26.89 63.78 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 105.883 -1.895 . . . . 50.0 105.883 173.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 83.55 15.71 70.39 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 109.26 -1.536 . . . . 50.0 109.26 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 11.4 m -155.34 163.8 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.609 0 N-CA-C 108.455 -0.943 . . . . 50.0 108.455 -172.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 13.4 t -126.97 131.78 70.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.511 -0.768 . . . . 50.0 109.631 -178.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.31 159.09 15.17 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 108.541 -0.911 . . . . 25.0 108.541 178.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -51.86 -43.13 63.12 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.649 -0.705 . . . . 50.0 110.431 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -22.03 60.8 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 121.52 -0.737 . . . . 50.0 110.499 -175.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -77.13 -40.9 43.97 Favored 'General case' 0 C--O 1.216 -0.707 0 C-N-CA 119.885 -0.726 . . . . 25.0 111.618 -176.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.412 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.0 OUTLIER -68.29 -31.38 70.79 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.122 -0.986 . . . . 50.0 109.529 177.088 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 13.7 mm -63.95 -29.12 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 109.258 -0.645 . . . . 50.0 109.258 177.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -60.69 -46.09 91.69 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 109.838 -0.43 . . . . 50.0 109.838 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 815' ' ' PHE . . . . . 0.412 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 4.3 p90 -79.93 -25.46 40.48 Favored 'General case' 0 CA--C 1.512 -0.497 0 C-N-CA 119.251 -0.98 . . . . 50.0 111.068 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -64.64 -35.52 81.29 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 105.8 -1.926 . . . . 50.0 105.8 -177.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.71 -28.56 64.83 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 115.819 -0.628 . . . . 50.0 111.106 177.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -77.05 -34.45 57.2 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.556 0.576 . . . . 50.0 112.556 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -77.88 -17.8 56.91 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 119.804 -0.759 . . . . 50.0 111.543 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 39.9 p -102.6 7.87 39.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.419 0.628 . . . . 25.0 110.128 178.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -83.36 13.89 4.02 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.512 1.301 . . . . 25.0 114.512 -177.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -84.34 161.53 20.37 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.493 0.663 . . . . 50.0 112.521 -177.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 73.3 p 51.96 63.47 2.23 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 118.602 2.816 . . . . 25.0 118.602 177.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -122.56 130.27 52.83 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 106.083 -1.821 . . . . 25.0 106.083 170.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 74.3 p -127.22 0.12 6.42 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.62 0.6 . . . . 25.0 112.62 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -76.09 -43.48 43.29 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.887 0.699 . . . . 25.0 112.887 -173.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.2 -35.61 81.36 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 122.044 0.926 . . . . 50.0 111.722 -178.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -56.46 -44.76 80.84 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.89 1.07 . . . . 50.0 113.89 -175.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 6.2 p -69.38 -38.95 78.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 C-N-CA 120.735 -0.386 . . . . 50.0 110.999 -173.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 6.1 tpt -69.24 -40.99 77.58 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 109.255 -0.646 . . . . 50.0 109.255 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.45 93.61 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.894 -0.594 . . . . 25.0 110.349 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 47.6 m -64.32 -39.36 93.75 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.494 0.553 . . . . 50.0 112.494 -178.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -64.32 -35.41 80.78 Favored 'General case' 0 C--O 1.214 -0.79 0 O-C-N 121.332 -0.855 . . . . 50.0 110.231 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -64.64 -25.04 67.78 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.362 -0.535 . . . . 50.0 111.772 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 66.5 mt -79.87 -45.18 23.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 108.606 -0.887 . . . . 50.0 108.606 -178.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.49 -23.11 32.32 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 119.676 -0.81 . . . . 50.0 111.985 -173.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -107.8 17.56 22.38 Favored 'General case' 0 C--O 1.209 -1.064 0 O-C-N 122.258 -0.276 . . . . 25.0 111.669 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -65.74 -24.46 71.3 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 107.845 -2.102 . . . . 50.0 107.845 171.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -69.96 -19.55 63.35 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.43 0.529 . . . . 25.0 112.43 176.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -131.28 -166.03 1.65 Allowed 'General case' 0 C--O 1.214 -0.796 0 O-C-N 121.692 -0.63 . . . . 50.0 109.693 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -117.17 13.08 14.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.558 -0.714 . . . . 50.0 109.846 174.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -160.95 178.73 9.1 Favored 'General case' 0 CA--C 1.511 -0.551 0 N-CA-C 108.744 -0.836 . . . . 50.0 108.744 -177.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -134.97 152.96 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 N-CA-C 109.001 -0.74 . . . . 50.0 109.001 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 41.8 p -105.03 159.06 16.12 Favored 'General case' 0 CA--C 1.495 -1.135 0 N-CA-C 107.815 -1.18 . . . . 25.0 107.815 174.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 72.7 mtm -58.34 -33.4 69.49 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.31 -0.859 . . . . 50.0 110.351 175.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -71.87 -32.49 67.52 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.481 -0.781 . . . . 25.0 111.084 -178.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -76.49 -49.73 15.79 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 120.694 0.283 . . . . 50.0 110.582 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.0 pp -65.77 -26.93 67.94 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.498 -0.881 . . . . 50.0 112.177 -176.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 24.2 ptt85 -71.53 -11.59 60.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.573 -0.704 . . . . 50.0 112.014 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -73.14 -27.12 61.49 Favored 'General case' 0 CA--C 1.513 -0.45 0 O-C-N 121.633 -0.667 . . . . 50.0 109.218 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -83.37 -43.05 16.34 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 114.77 -1.104 . . . . 50.0 110.135 -177.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.8 80.73 71.56 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.347 -0.842 . . . . 50.0 109.191 -178.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -63.63 -23.71 69.94 Favored 'Trans proline' 0 CA--C 1.556 1.583 0 N-CA-C 119.583 2.878 . . . . 25.0 119.583 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -79.38 -165.42 0.34 Allowed 'Trans proline' 0 C--N 1.365 1.413 0 C-N-CA 113.738 -3.708 . . . . 50.0 111.731 176.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -49.67 -17.54 0.34 Allowed 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 114.598 1.333 . . . . 50.0 114.598 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -53.05 -39.06 62.97 Favored 'General case' 0 C--O 1.219 -0.51 0 O-C-N 121.853 -0.529 . . . . 50.0 110.833 176.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -61.32 -42.74 99.17 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 122.348 -0.22 . . . . 25.0 111.195 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -67.17 -39.97 86.52 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.246 0.546 . . . . 50.0 110.089 -177.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -65.15 -30.95 71.91 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.005 -0.739 . . . . 50.0 109.005 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 57.2 m -73.96 -42.5 60.42 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 116.366 -0.379 . . . . 50.0 110.343 178.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 22.7 mt -62.84 -40.27 88.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.303 -0.629 . . . . 50.0 109.303 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -62.49 -28.17 69.65 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 121.041 0.448 . . . . 25.0 111.389 178.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . 0.403 ' HB3' ' CE1' ' A' ' 882' ' ' PHE . 4.3 mpt_? -93.05 -20.91 20.08 Favored 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 112.365 0.506 . . . . 50.0 112.365 -178.474 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 3.5 ttm -74.2 167.3 21.87 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 113.708 1.003 . . . . 50.0 113.708 -175.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -99.94 143.57 26.73 Favored Pre-proline 0 C--O 1.217 -0.639 0 N-CA-C 107.828 -1.175 . . . . 25.0 107.828 -178.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -75.21 152.38 39.72 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 CA-C-N 118.686 0.566 . . . . 50.0 113.352 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -119.35 125.37 48.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.769 -0.65 . . . . 50.0 112.394 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 72.8 p -128.23 42.21 3.36 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 109.555 -0.535 . . . . 25.0 109.555 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -85.16 -166.55 41.98 Favored Glycine 0 CA--C 1.524 0.636 0 CA-C-O 119.609 -0.55 . . . . 50.0 113.891 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -69.95 -30.61 21.12 Favored 'Trans proline' 0 N--CA 1.475 0.441 0 CA-C-N 118.971 1.386 . . . . 50.0 114.641 -177.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -97.29 23.46 7.47 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 108.889 -0.782 . . . . 50.0 108.889 -177.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 87.7 p -75.0 151.56 38.77 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 122.758 1.266 . . . . 50.0 113.59 -172.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 12.1 m -137.38 162.47 54.92 Favored Pre-proline 0 C--N 1.319 -0.745 0 N-CA-C 103.054 -2.943 . . . . 50.0 103.054 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.07 -23.98 63.63 Favored 'Trans proline' 0 C--N 1.349 0.588 0 N-CA-C 114.994 1.113 . . . . 50.0 114.994 -178.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -106.6 34.19 5.91 Favored Glycine 0 CA--C 1.51 -0.251 0 C-N-CA 121.748 -0.263 . . . . 50.0 113.475 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -92.5 137.49 32.32 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.423 0.63 . . . . 25.0 111.15 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 49.8 mt -135.56 138.36 42.93 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.895 -1.15 . . . . 50.0 107.895 -179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -87.24 102.09 14.15 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 106.91 -1.515 . . . . 50.0 106.91 178.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -73.23 -33.58 65.41 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.255 -0.884 . . . . 50.0 109.439 -178.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 14.1 ttp -67.99 -22.93 64.98 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.624 -0.716 . . . . 50.0 109.321 -176.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 4.3 t -86.18 -24.17 26.24 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.357 -0.838 . . . . 50.0 112.771 177.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . 0.403 ' CE1' ' HB3' ' A' ' 863' ' ' ARG . 7.2 t80 -56.04 -43.41 77.81 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.315 0.578 . . . . 50.0 111.679 -179.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.09 -23.19 4.96 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 114.945 1.461 . . . . 50.0 114.945 176.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 15.3 t -117.06 -3.43 11.56 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.721 1.008 . . . . 25.0 113.721 178.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -154.2 127.61 8.55 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 122.022 -0.424 . . . . 25.0 111.88 -177.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -144.93 149.38 35.15 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.041 -1.096 . . . . 50.0 108.041 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -127.7 -9.3 5.59 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 114.249 1.203 . . . . 50.0 114.249 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -85.62 40.92 3.04 Favored Glycine 0 N--CA 1.459 0.198 0 N-CA-C 115.493 0.957 . . . . 25.0 115.493 -175.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -103.15 146.07 28.97 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 107.859 -1.163 . . . . 50.0 107.859 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 67.6 m -137.22 177.41 7.88 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.482 -0.562 . . . . 25.0 109.482 -176.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -91.27 15.94 10.98 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 123.47 0.708 . . . . 50.0 110.666 178.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 3.1 tm? . . . . . 0 C--O 1.246 0.892 0 CA-C-N 115.138 -0.937 . . . . 50.0 109.402 -178.884 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 CA-C-O 118.916 -0.936 . . . . 25.0 111.262 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 53.2 p -142.87 172.82 12.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 118.273 1.037 . . . . 25.0 109.711 -176.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.26 150.95 41.91 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.278 -0.638 . . . . 25.0 109.278 179.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 3.8 mt -62.41 120.12 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 122.846 1.308 . . . . 50.0 113.205 -177.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 29.0 m -91.95 176.9 6.34 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 112.917 -1.947 . . . . 50.0 107.647 173.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -62.72 -36.25 82.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.216 -0.927 . . . . 50.0 109.538 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 15.9 pm0 -73.24 -23.47 60.35 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 123.596 0.758 . . . . 50.0 111.349 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.69 -57.65 3.75 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-O 121.296 0.57 . . . . 50.0 110.676 178.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 23.8 ptp -55.03 -27.15 42.3 Favored 'General case' 0 C--O 1.212 -0.89 0 C-N-CA 120.675 -0.41 . . . . 50.0 110.611 177.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.49 -56.35 22.48 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.186 -0.461 . . . . 50.0 111.098 179.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -69.35 -30.53 68.57 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.84 -0.43 . . . . 50.0 109.84 -177.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -63.93 -48.75 75.33 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.319 0.581 . . . . 50.0 111.683 174.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -66.52 -39.24 88.52 Favored 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 121.817 -0.552 . . . . 50.0 109.727 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.18 -39.12 78.9 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.62 0.6 . . . . 25.0 112.62 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 12.1 p -67.02 -43.35 83.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 118.51 0.596 . . . . 25.0 110.825 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -40.98 92.65 Favored 'General case' 0 C--O 1.211 -0.949 0 N-CA-C 108.673 -0.862 . . . . 50.0 108.673 177.073 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.48 -30.83 67.74 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.65 0.611 . . . . 50.0 112.65 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -69.44 -34.6 74.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.01 0.434 . . . . 50.0 109.867 -178.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -88.25 -36.87 16.48 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.939 -0.573 . . . . 50.0 110.049 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -91.3 70.64 6.11 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 122.568 1.175 . . . . 50.0 108.756 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -79.89 -0.35 34.54 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.074 -1.421 . . . . 50.0 110.704 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -92.74 -11.46 33.83 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.262 -1.385 . . . . 50.0 107.262 176.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 53.83 37.74 27.09 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 114.333 -1.303 . . . . 25.0 112.484 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 43.3 t -70.18 -28.16 65.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.933 -1.031 . . . . 25.0 110.349 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 94.21 1.85 64.49 Favored Glycine 0 C--O 1.24 0.486 0 N-CA-C 109.456 -1.457 . . . . 50.0 109.456 -178.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -150.27 151.63 33.27 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 108.895 -0.78 . . . . 25.0 108.895 -175.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 766' ' ' LEU . . . . . 0.451 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 20.6 mt -134.9 174.34 10.71 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 107.105 -1.442 . . . . 50.0 107.105 176.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -85.46 179.4 50.49 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.141 -1.184 . . . . 50.0 110.141 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.29 -29.7 20.93 Favored 'Trans proline' 0 C--O 1.222 -0.28 0 C-N-CA 121.095 1.197 . . . . 50.0 113.593 -175.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.05 -40.32 31.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.787 0.803 . . . . 50.0 109.414 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -66.41 -53.76 32.05 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.455 -0.793 . . . . 50.0 110.914 -177.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 771' ' ' PHE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.4 OUTLIER -59.09 -31.69 69.13 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 112.636 0.606 . . . . 50.0 112.636 174.188 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -63.76 -46.4 85.46 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.864 0.756 . . . . 50.0 109.967 177.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -72.19 -24.52 61.43 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.408 0.623 . . . . 25.0 111.235 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 46.9 t -64.0 -34.34 77.78 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.972 -0.751 . . . . 50.0 108.972 176.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.52 -33.79 75.78 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-O 121.23 0.538 . . . . 75.0 109.645 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 60.8 mt -59.5 -32.66 49.39 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 O-C-N 121.933 -0.479 . . . . 50.0 110.048 -178.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.84 -16.72 59.66 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.594 0.59 . . . . 50.0 112.594 177.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 16.9 mt -97.46 -20.76 17.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.339 -0.391 . . . . 50.0 110.744 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 121.02 32.21 1.1 Allowed Glycine 0 C--O 1.221 -0.672 0 CA-C-N 115.874 -0.603 . . . . 50.0 114.503 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -98.45 143.84 28.45 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 106.261 -1.755 . . . . 50.0 106.261 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -99.5 33.63 2.43 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 122.226 1.012 . . . . 50.0 110.634 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 72.5 mt -101.21 76.76 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 105.589 -2.004 . . . . 50.0 105.589 -178.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -141.5 74.46 0.35 Allowed Glycine 0 C--O 1.219 -0.813 0 N-CA-C 116.901 1.52 . . . . 50.0 116.901 -175.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 44.8 t30 70.2 7.87 6.41 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.348 1.059 . . . . 25.0 112.44 178.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -82.09 149.91 63.67 Favored Pre-proline 0 C--N 1.314 -0.94 0 N-CA-C 105.978 -1.86 . . . . 50.0 105.978 175.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -70.54 -20.58 30.99 Favored 'Trans proline' 0 C--O 1.224 -0.2 0 C-N-CA 116.904 -1.597 . . . . 50.0 112.94 -177.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -80.49 -36.15 33.76 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.134 -1.062 . . . . 50.0 108.134 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -65.38 -47.68 76.85 Favored Glycine 0 C--O 1.211 -1.339 0 N-CA-C 109.124 -1.591 . . . . 50.0 109.124 177.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.9 -33.79 69.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 118.064 0.932 . . . . 50.0 112.129 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -64.68 -35.16 80.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.475 -0.33 . . . . 25.0 111.295 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . 0.431 ' HB2' ' HE ' ' A' ' 794' ' ' ARG . 14.7 pt-20 -95.63 -17.64 21.18 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 121.889 0.852 . . . . 50.0 111.527 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.7 -32.74 68.13 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 106.733 -1.58 . . . . 50.0 106.733 174.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.52 -33.74 71.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.987 -0.551 . . . . 25.0 111.889 178.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . 0.431 ' HE ' ' HB2' ' A' ' 791' ' ' GLU . 23.1 ptt85 -82.7 -28.97 30.2 Favored 'General case' 0 C--O 1.215 -0.724 0 N-CA-C 108.645 -0.872 . . . . 50.0 108.645 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 42.3 mt -68.26 -51.48 47.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.852 -0.425 . . . . 50.0 109.852 -178.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 18.6 ptt? -59.68 -29.41 68.06 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-O 120.853 0.359 . . . . 50.0 111.287 -178.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 50.7 m -72.08 -20.25 61.68 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.175 0.435 . . . . 25.0 112.175 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 66.4 mt -95.43 -47.14 13.18 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.62 0 CA-C-O 121.221 0.534 . . . . 50.0 110.813 -176.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 31.7 m -76.33 -14.04 14.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.929 -0.578 . . . . 50.0 111.735 -176.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -153.8 68.74 6.28 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-O 121.75 0.786 . . . . 50.0 111.033 -176.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -72.05 -7.67 21.47 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 118.157 -0.762 . . . . 50.0 112.621 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -91.48 -10.16 41.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.366 -0.379 . . . . 50.0 110.874 -178.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 58.57 49.02 11.05 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.796 0.808 . . . . 50.0 110.585 -177.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 85.4 mt -71.76 -26.19 62.35 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.573 -1.194 . . . . 50.0 107.938 175.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 89.51 19.42 48.99 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.225 -0.898 . . . . 50.0 111.801 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 14.8 m -144.64 153.45 14.81 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 CA-C-O 121.198 0.523 . . . . 50.0 110.62 -176.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 12.5 t -131.41 131.48 63.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.486 -0.779 . . . . 50.0 109.703 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -96.95 160.74 14.18 Favored 'General case' 0 CA--C 1.503 -0.85 0 N-CA-C 109.22 -0.659 . . . . 25.0 109.22 178.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -53.84 -42.06 68.07 Favored 'General case' 0 C--O 1.213 -0.822 0 CA-C-N 115.309 -0.86 . . . . 50.0 110.005 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -22.3 59.32 Favored 'General case' 0 C--N 1.318 -0.791 0 O-C-N 121.602 -0.686 . . . . 50.0 109.646 -174.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -75.47 -42.89 52.0 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 119.968 -0.693 . . . . 25.0 111.027 -177.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.439 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.0 OUTLIER -66.26 -30.59 71.05 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 119.272 -0.971 . . . . 50.0 110.288 178.214 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 18.8 mm -63.82 -26.97 41.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.336 0.588 . . . . 50.0 110.548 177.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.06 -43.74 94.56 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 119.446 -0.902 . . . . 50.0 110.627 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 815' ' ' PHE . . . . . 0.439 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.2 p90 -80.37 -24.5 39.75 Favored 'General case' 0 CA--C 1.505 -0.777 0 C-N-CA 119.256 -0.978 . . . . 50.0 111.38 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.33 -33.54 75.74 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 107.04 -1.467 . . . . 50.0 107.04 -178.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 27.9 t -64.78 -26.21 68.25 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.063 0.459 . . . . 50.0 111.526 177.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -85.68 -36.71 20.09 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 112.345 0.498 . . . . 50.0 112.345 -179.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -79.14 -35.61 41.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.538 0.685 . . . . 50.0 109.979 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 820' ' ' THR . . . . . 0.402 ' C ' ' H ' ' A' ' 822' ' ' ASP . 0.2 OUTLIER -95.69 27.57 3.41 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 122.457 1.123 . . . . 25.0 111.054 -179.366 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -67.81 19.22 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.006 0 CA-C-N 114.046 -1.434 . . . . 25.0 114.628 -178.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' A' ' 820' ' ' THR . 46.7 t0 -139.47 159.44 42.15 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 106.424 -1.695 . . . . 50.0 106.424 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 24.3 m -126.17 89.87 3.09 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.927 0.87 . . . . 25.0 111.897 -176.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -64.15 122.66 17.13 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.595 -1.184 . . . . 25.0 108.157 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 31.7 p -66.07 -30.94 71.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.191 -0.459 . . . . 25.0 111.939 -177.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -72.61 -35.26 67.82 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.906 -0.405 . . . . 25.0 109.906 -179.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -66.59 -31.46 72.17 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.83 0.348 . . . . 50.0 111.246 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -61.29 -48.4 81.54 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.455 0.645 . . . . 50.0 110.953 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 11.6 p -75.27 -28.59 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.128 -0.693 . . . . 50.0 109.128 -177.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -37.25 84.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.019 -0.426 . . . . 50.0 109.892 177.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.96 83.95 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.603 -0.518 . . . . 25.0 109.603 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 9.6 m -62.86 -41.14 99.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.061 0.458 . . . . 50.0 111.351 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -69.14 -33.97 74.27 Favored 'General case' 0 C--O 1.22 -0.454 0 O-C-N 121.719 -0.613 . . . . 50.0 110.014 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -63.04 -21.59 66.27 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-O 120.852 0.358 . . . . 50.0 111.054 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 83.2 mt -72.81 -46.03 54.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.13 -1.063 . . . . 50.0 108.13 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.74 -29.43 25.52 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.522 0.677 . . . . 50.0 111.624 -173.317 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -108.66 17.46 21.92 Favored 'General case' 0 C--O 1.206 -1.213 0 CA-C-N 115.359 -0.837 . . . . 25.0 112.893 -177.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -62.47 -25.18 66.69 Favored Glycine 0 C--N 1.318 -0.442 0 N-CA-C 108.023 -2.031 . . . . 50.0 108.023 171.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -74.0 -18.82 60.81 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.673 0.62 . . . . 25.0 112.673 177.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -130.14 179.93 5.6 Favored 'General case' 0 C--O 1.21 -0.988 0 CA-C-N 119.074 0.852 . . . . 50.0 111.645 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -104.1 11.67 34.9 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.679 -0.638 . . . . 50.0 109.323 175.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . 0.41 ' HB3' ' CE2' ' A' ' 867' ' ' TYR . 5.9 p90 -160.33 178.21 9.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.337 -0.392 . . . . 50.0 110.421 -176.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.04 157.1 35.3 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.861 0 N-CA-C 108.411 -0.959 . . . . 50.0 108.411 -177.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 41.8 p -106.8 161.79 14.36 Favored 'General case' 0 CA--C 1.501 -0.933 0 O-C-N 120.994 -1.066 . . . . 25.0 109.222 173.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 13.7 mtm -55.87 -40.32 72.75 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.839 -1.073 . . . . 50.0 109.784 176.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -71.21 -34.31 70.72 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.456 -0.793 . . . . 25.0 112.912 -177.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -70.15 -45.91 65.81 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.749 0.309 . . . . 50.0 110.859 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.7 pp -67.93 -26.46 65.98 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.833 -0.542 . . . . 50.0 110.521 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -66.55 -12.24 56.74 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.235 0.457 . . . . 50.0 112.235 177.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . 0.464 ' HG2' ' HG2' ' A' ' 851' ' ' GLU . 15.6 ptt180 -78.35 -27.46 47.03 Favored 'General case' 0 C--O 1.224 -0.263 0 N-CA-C 108.903 -0.777 . . . . 50.0 108.903 179.1 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . 0.464 ' HG2' ' HG2' ' A' ' 850' ' ' ARG . 25.5 mm-40 -85.74 -39.31 17.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.483 -0.78 . . . . 50.0 110.167 -175.481 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.19 77.01 77.43 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 115.842 -0.617 . . . . 50.0 110.099 179.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.21 -32.24 79.58 Favored 'Trans proline' 0 CA--C 1.553 1.432 0 N-CA-C 118.895 2.613 . . . . 25.0 118.895 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -77.48 -166.39 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.23 0 C-N-CA 114.794 -3.004 . . . . 50.0 112.809 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -49.82 -19.13 0.6 Allowed 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.739 1.385 . . . . 50.0 114.739 -178.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -50.17 -40.83 48.0 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 121.845 -0.534 . . . . 50.0 111.671 175.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.28 98.26 Favored 'General case' 0 C--O 1.214 -0.764 0 C-N-CA 121.058 -0.257 . . . . 25.0 111.492 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -65.96 -41.4 91.26 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.217 0.532 . . . . 50.0 109.681 -178.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -67.4 -26.68 66.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.278 -0.419 . . . . 50.0 110.622 175.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 39.5 m -73.29 -44.54 58.97 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 108.902 -0.777 . . . . 50.0 108.902 177.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 22.8 mt -62.35 -35.65 70.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.233 -0.654 . . . . 50.0 109.233 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.69 -8.28 19.9 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.528 0.936 . . . . 25.0 113.528 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -124.05 -33.57 3.09 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.027 1.121 . . . . 50.0 114.027 177.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 34.7 ttm -61.63 146.37 49.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.596 0.712 . . . . 50.0 112.062 -175.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -72.57 141.91 83.25 Favored Pre-proline 0 C--O 1.211 -0.929 0 CA-C-N 115.657 -0.701 . . . . 25.0 110.11 -171.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -75.9 145.41 28.45 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 CA-C-O 121.738 0.641 . . . . 50.0 112.079 177.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . 0.41 ' CE2' ' HB3' ' A' ' 842' ' ' TYR . 63.6 t80 -111.41 132.21 54.62 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.418 -0.81 . . . . 50.0 112.171 -179.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 7.1 t -137.56 36.23 2.46 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 122.193 0.997 . . . . 25.0 108.884 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -84.07 -167.57 42.54 Favored Glycine 0 CA--C 1.523 0.541 0 CA-C-N 115.443 -0.798 . . . . 50.0 114.053 -176.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -70.47 -26.23 24.46 Favored 'Trans proline' 0 C--O 1.222 -0.303 0 CA-C-N 118.677 1.239 . . . . 50.0 114.727 -178.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -97.45 19.9 12.56 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.714 0.769 . . . . 50.0 109.616 -177.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 83.9 p -75.77 154.72 36.12 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 115.803 1.779 . . . . 50.0 115.803 -171.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 4.0 m -140.28 162.79 47.87 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 103.038 -2.949 . . . . 50.0 103.038 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -68.95 -6.63 18.63 Favored 'Trans proline' 0 CA--C 1.535 0.534 0 C-N-CA 116.84 -1.64 . . . . 50.0 114.987 -176.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -111.87 26.81 11.06 Favored Glycine 0 C--O 1.227 -0.313 0 N-CA-C 112.147 -0.381 . . . . 50.0 112.147 177.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -91.97 141.12 28.98 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.961 0.726 . . . . 25.0 112.961 -175.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 54.0 mt -137.28 142.67 41.94 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.069 -1.456 . . . . 50.0 107.069 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -91.51 111.08 22.44 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 107.289 -1.374 . . . . 50.0 107.289 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -81.66 -36.38 28.85 Favored 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 109.233 -0.654 . . . . 50.0 109.233 -177.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -26.13 68.56 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 122.05 0.928 . . . . 50.0 108.521 -176.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 7.9 t -87.86 -15.45 36.72 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 114.32 1.23 . . . . 50.0 114.32 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -65.85 -38.81 89.84 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.258 0.836 . . . . 50.0 113.258 -175.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 6.2 p -57.73 -26.44 61.81 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.134 0.79 . . . . 50.0 113.134 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 12.4 t -109.16 -4.12 16.78 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.947 0.721 . . . . 25.0 112.947 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -154.72 129.09 9.06 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.493 0.923 . . . . 25.0 113.493 -177.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 4.0 pp -140.38 165.64 26.86 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 104.762 -2.31 . . . . 50.0 104.762 175.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -136.53 -2.93 2.15 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.146 0.498 . . . . 50.0 110.882 -175.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -101.54 -140.77 11.37 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-O 122.549 1.083 . . . . 25.0 112.467 -178.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -78.49 154.39 30.56 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 113.96 -1.12 . . . . 50.0 112.754 -175.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 25.5 p -83.97 174.47 10.31 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.616 -0.883 . . . . 25.0 108.616 175.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -109.07 9.68 26.24 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 108.829 -0.804 . . . . 50.0 108.829 175.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 57.0 tp . . . . . 0 C--O 1.252 1.2 0 CA-C-O 116.712 -1.614 . . . . 50.0 109.656 178.692 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.885 0 N-CA-C 111.267 -0.733 . . . . 25.0 111.267 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 8.8 t -60.05 -24.38 64.51 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 117.647 2.462 . . . . 25.0 117.647 -171.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 9.4 t -82.47 128.61 34.43 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 115.115 1.524 . . . . 25.0 115.115 -175.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -76.25 142.69 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 124.223 1.009 . . . . 50.0 112.623 178.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 38.9 m -84.19 166.63 17.41 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.214 -0.448 . . . . 50.0 110.854 174.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -61.81 -37.92 86.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 120.537 -1.352 . . . . 75.0 111.01 177.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -72.96 -23.63 60.69 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.673 -0.694 . . . . 50.0 110.677 178.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.02 -58.61 3.19 Favored 'General case' 0 CA--C 1.504 -0.814 0 N-CA-C 109.19 -0.67 . . . . 50.0 109.19 -179.331 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 23.9 ptp -57.1 -26.32 60.26 Favored 'General case' 0 C--O 1.219 -0.504 0 C-N-CA 119.753 -0.779 . . . . 50.0 111.394 178.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.98 -55.69 26.77 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.692 -0.686 . . . . 50.0 109.632 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -72.37 -31.93 66.0 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 121.165 -0.214 . . . . 50.0 110.544 -177.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -59.27 -48.19 82.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.902 -0.499 . . . . 50.0 109.853 175.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 -66.79 -45.12 79.44 Favored 'General case' 0 CA--C 1.508 -0.647 0 N-CA-C 109.159 -0.682 . . . . 50.0 109.159 -179.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -63.89 -36.44 83.95 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.885 0.698 . . . . 25.0 112.885 -177.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 45.1 m -71.6 -41.93 68.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 118.438 0.563 . . . . 25.0 110.009 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -39.77 92.34 Favored 'General case' 0 C--O 1.209 -1.066 0 N-CA-C 107.33 -1.359 . . . . 50.0 107.33 177.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.94 -30.76 67.16 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 112.519 0.562 . . . . 50.0 112.519 179.337 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -71.11 -31.32 67.63 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.787 -0.57 . . . . 50.0 110.352 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -91.91 -38.23 12.42 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 109.014 -0.735 . . . . 50.0 109.014 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -88.31 68.18 8.88 Favored 'General case' 0 CA--C 1.505 -0.778 0 CA-C-O 122.649 1.214 . . . . 50.0 109.192 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -75.05 -9.63 58.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.184 -1.371 . . . . 50.0 110.516 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -90.48 -10.78 42.42 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.477 -0.783 . . . . 50.0 109.242 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 51.73 40.82 28.37 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.651 1.18 . . . . 25.0 113.425 -178.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 19.0 m -72.93 -20.64 61.02 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 108.954 -0.758 . . . . 25.0 108.954 176.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 88.53 1.26 81.1 Favored Glycine 0 C--O 1.24 0.474 0 N-CA-C 110.127 -1.189 . . . . 50.0 110.127 -178.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -149.42 155.46 40.46 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.033 -1.099 . . . . 25.0 108.033 -175.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 766' ' ' LEU . . . . . 0.452 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 20.9 mt -136.35 173.19 11.97 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.939 -1.134 . . . . 50.0 107.939 176.015 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.83 173.12 54.65 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 109.857 -1.297 . . . . 50.0 109.857 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -66.53 -36.09 27.42 Favored 'Trans proline' 0 C--O 1.218 -0.525 0 CA-C-N 117.75 0.775 . . . . 50.0 112.873 -176.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -73.82 -35.93 64.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.487 0.66 . . . . 50.0 110.317 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -70.28 -51.64 28.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.938 -0.574 . . . . 50.0 110.33 -177.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 771' ' ' PHE . . . . . 0.452 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -61.0 -30.98 70.61 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 113.035 0.754 . . . . 50.0 113.035 174.051 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -63.34 -47.38 82.4 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 109.039 -0.726 . . . . 75.0 109.039 176.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -70.87 -24.44 62.51 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.247 0.546 . . . . 25.0 110.969 -178.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 49.4 t -62.61 -35.93 81.15 Favored 'General case' 0 C--O 1.209 -1.049 0 N-CA-C 109.429 -0.582 . . . . 50.0 109.429 176.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 14.2 mt -65.34 -33.71 76.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.817 0.818 . . . . 75.0 110.674 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 58.1 mt -59.58 -31.34 46.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 O-C-N 121.619 -0.676 . . . . 50.0 111.032 -177.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 82.8 p -63.9 -21.26 66.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.718 0.294 . . . . 50.0 111.697 178.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 16.7 mt -90.81 -18.6 24.6 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-O 121.203 0.525 . . . . 50.0 111.058 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 122.0 21.01 2.96 Favored Glycine 0 C--O 1.211 -1.282 0 CA-C-N 116.037 -0.529 . . . . 50.0 114.207 -179.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -92.1 146.03 24.05 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 107.91 -1.144 . . . . 50.0 107.91 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -101.64 33.34 3.01 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 107.882 -1.155 . . . . 50.0 107.882 178.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 57.3 mt -103.81 100.48 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.775 0 N-CA-C 105.737 -1.949 . . . . 50.0 105.737 -177.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -145.24 -140.14 3.51 Favored Glycine 0 C--O 1.249 1.075 0 N-CA-C 109.495 -1.442 . . . . 50.0 109.495 -178.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -86.6 16.11 4.97 Favored 'General case' 0 CA--C 1.563 1.454 0 CA-C-O 122.729 1.252 . . . . 25.0 109.836 178.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -83.91 149.42 56.4 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 106.39 -1.708 . . . . 50.0 106.39 178.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -70.84 -20.09 30.16 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 116.551 -1.833 . . . . 50.0 115.566 -169.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -81.38 -38.43 26.6 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 107.747 -1.205 . . . . 50.0 107.747 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -65.89 -46.19 83.6 Favored Glycine 0 C--O 1.203 -1.817 0 N-CA-C 109.65 -1.38 . . . . 50.0 109.65 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -57.5 -40.12 78.0 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 121.697 -0.884 . . . . 50.0 111.576 177.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -61.69 -36.81 81.96 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.006 0.373 . . . . 25.0 112.006 -178.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -89.39 -24.98 21.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.43 0.633 . . . . 50.0 110.189 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -68.12 -33.86 75.29 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.819 -0.808 . . . . 50.0 108.819 178.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.48 -28.06 66.68 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 121.664 0.745 . . . . 25.0 111.1 176.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -81.71 -40.98 21.95 Favored 'General case' 0 C--O 1.219 -0.553 0 N-CA-C 108.072 -1.084 . . . . 50.0 108.072 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 39.7 mt -62.16 -47.68 92.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 114.588 -1.187 . . . . 50.0 111.338 -176.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 13.9 ptt? -62.39 -26.53 68.52 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-O 120.761 0.315 . . . . 50.0 111.783 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 49.2 m -76.66 -16.92 59.41 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.507 -0.315 . . . . 25.0 110.894 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 57.8 mt -94.48 -48.64 12.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.454 0.645 . . . . 50.0 110.55 -178.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 23.2 m -75.35 -15.67 15.72 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-O 121.528 0.68 . . . . 50.0 112.675 -176.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -151.93 68.66 7.51 Favored Pre-proline 0 CA--C 1.542 0.646 0 CA-C-N 115.268 -0.878 . . . . 50.0 110.506 -174.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -71.19 -10.04 26.57 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 118.015 -0.857 . . . . 50.0 111.897 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -90.03 -9.21 49.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.314 -0.403 . . . . 50.0 110.191 -179.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? 55.06 50.51 15.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 122.259 1.028 . . . . 50.0 111.222 -177.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 87.3 mt -71.22 -26.0 62.74 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 113.978 -1.465 . . . . 50.0 108.337 174.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 89.41 19.78 47.86 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 110.776 -0.93 . . . . 50.0 110.776 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 7.8 m -145.3 153.1 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 CA-C-O 121.596 0.713 . . . . 50.0 110.105 -177.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 14.8 t -131.58 131.61 62.54 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.47 0 CA-C-N 115.19 -0.914 . . . . 50.0 109.827 -177.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.31 159.78 14.72 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.01 -0.737 . . . . 25.0 109.01 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -50.75 -44.53 58.46 Favored 'General case' 0 C--O 1.208 -1.104 0 O-C-N 123.433 0.458 . . . . 50.0 110.364 178.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -24.01 61.39 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 119.979 -0.688 . . . . 50.0 110.03 -174.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -74.95 -40.07 60.98 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.293 -0.563 . . . . 25.0 111.896 -177.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.431 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.3 p90 -70.17 -30.6 67.78 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 118.755 -1.178 . . . . 50.0 109.607 178.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 12.0 mm -63.03 -29.55 47.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.315 0.579 . . . . 50.0 109.728 177.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -61.99 -43.87 97.93 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.202 0.525 . . . . 50.0 110.731 -178.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 815' ' ' PHE . . . . . 0.431 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.6 p90 -82.34 -25.87 33.48 Favored 'General case' 0 CA--C 1.508 -0.658 0 C-N-CA 119.21 -0.996 . . . . 50.0 111.766 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -38.14 89.19 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 106.204 -1.776 . . . . 50.0 106.204 -177.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 48.4 t -61.12 -29.9 70.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.159 -0.473 . . . . 50.0 110.452 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 69.2 mtm-85 -85.91 -29.02 23.96 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 114.909 1.448 . . . . 50.0 114.909 -178.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -78.11 -36.69 47.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 119.746 1.157 . . . . 50.0 111.328 -178.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 7.5 t -78.36 -5.77 53.21 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 121.431 0.634 . . . . 25.0 109.572 176.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -81.79 -29.82 32.54 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 174.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -69.38 -8.14 43.76 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.23 0.538 . . . . 50.0 110.309 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 76.8 p -119.31 16.06 13.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.697 -0.683 . . . . 25.0 110.752 177.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -83.85 168.3 16.24 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.613 -0.679 . . . . 25.0 110.685 177.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 82.5 p -136.32 154.97 50.71 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.331 0.586 . . . . 25.0 110.552 -179.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -62.92 -17.76 62.21 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 115.489 -0.778 . . . . 25.0 111.409 176.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -53.82 -23.81 13.5 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.669 0.989 . . . . 75.0 113.669 -177.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -29.04 67.59 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.976 0.732 . . . . 50.0 112.976 176.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 5.9 p -77.36 -30.0 17.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 108.603 -0.888 . . . . 50.0 108.603 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.63 -36.22 60.26 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 108.005 -1.109 . . . . 50.0 108.005 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -58.7 -39.34 80.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.087 -0.506 . . . . 25.0 111.193 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 77.4 p -67.68 -41.43 83.68 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 120.133 -0.627 . . . . 50.0 111.411 -179.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -64.64 -37.51 87.81 Favored 'General case' 0 C--O 1.202 -1.401 0 N-CA-C 108.938 -0.764 . . . . 50.0 108.938 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -60.51 -27.09 67.34 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.318 0.488 . . . . 50.0 112.318 -178.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 75.5 mt -75.52 -42.57 42.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.137 -0.69 . . . . 50.0 109.137 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.87 -27.72 26.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.899 0.857 . . . . 50.0 111.83 -176.427 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -84.27 -8.97 58.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.56 -0.746 . . . . 25.0 111.305 -178.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -60.15 -16.64 42.16 Favored Glycine 0 CA--C 1.523 0.561 0 O-C-N 123.855 0.722 . . . . 50.0 112.366 177.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -65.85 -29.97 70.51 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.612 0.765 . . . . 25.0 109.668 174.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -134.36 -149.92 0.37 Allowed 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 109.032 -0.729 . . . . 50.0 109.032 -177.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -125.13 10.75 8.15 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.677 -0.639 . . . . 50.0 110.048 175.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -155.87 -179.49 8.17 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 107.634 -1.247 . . . . 50.0 107.634 -176.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.5 149.27 32.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 N-CA-C 108.093 -1.077 . . . . 50.0 108.093 -178.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 39.9 p -100.59 160.32 14.44 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 107.761 -1.2 . . . . 25.0 107.761 173.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 74.9 mtm -56.6 -36.75 69.75 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 114.877 -1.056 . . . . 50.0 110.103 176.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -72.12 -36.83 69.54 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-O 121.157 0.503 . . . . 25.0 110.869 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -68.3 -44.55 75.2 Favored 'General case' 0 C--O 1.222 -0.363 0 O-C-N 121.829 -0.545 . . . . 50.0 111.111 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.7 pp -70.41 -26.2 63.58 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 119.734 -0.787 . . . . 50.0 110.994 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -71.17 -12.96 61.77 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 120.967 -1.083 . . . . 50.0 111.12 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -70.74 -25.6 62.99 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.69 -0.485 . . . . 50.0 109.69 177.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -85.16 -41.93 15.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 122.014 0.912 . . . . 50.0 110.809 -178.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.72 81.4 69.54 Favored Pre-proline 0 C--O 1.22 -0.463 0 CA-C-N 115.177 -0.92 . . . . 50.0 109.946 -177.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -63.38 -22.02 71.54 Favored 'Trans proline' 0 CA--C 1.547 1.15 0 N-CA-C 119.771 2.95 . . . . 25.0 119.771 -178.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -80.05 -164.0 0.26 Allowed 'Trans proline' 0 C--N 1.365 1.439 0 C-N-CA 113.891 -3.606 . . . . 50.0 111.711 175.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -52.4 -16.18 0.81 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.86 1.43 . . . . 50.0 114.86 -178.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -53.22 -37.71 62.27 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 121.761 -0.587 . . . . 50.0 110.963 175.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -69.88 -40.47 75.68 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.53 -0.174 . . . . 25.0 110.53 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -60.94 -45.13 95.93 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 122.642 1.21 . . . . 50.0 108.507 -177.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -67.13 -32.51 73.68 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 114.913 -1.039 . . . . 50.0 109.86 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 21.8 m -70.69 -38.38 73.68 Favored 'General case' 0 C--O 1.219 -0.513 0 O-C-N 122.083 -0.386 . . . . 50.0 110.457 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 20.6 mt -63.16 -40.31 88.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.225 -0.657 . . . . 50.0 109.225 178.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -66.06 -19.6 65.9 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.119 0.414 . . . . 25.0 112.119 178.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -101.81 -29.15 12.03 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 113.226 0.824 . . . . 50.0 113.226 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 4.9 ttm -69.2 147.13 51.74 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.376 0.607 . . . . 50.0 111.754 -177.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -74.75 144.3 79.89 Favored Pre-proline 0 N--CA 1.442 -0.866 0 CA-C-N 115.2 -0.909 . . . . 25.0 108.631 -176.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -74.24 150.57 42.34 Favored 'Trans proline' 0 N--CA 1.464 -0.26 0 CA-C-O 121.961 0.734 . . . . 50.0 112.605 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -115.85 123.62 48.62 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.254 -0.884 . . . . 50.0 111.17 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 1.9 m -128.47 47.61 2.42 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.995 0.902 . . . . 25.0 108.698 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -93.36 -167.2 38.29 Favored Glycine 0 CA--C 1.523 0.587 0 CA-C-N 115.556 -0.747 . . . . 50.0 113.741 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -70.46 -26.54 24.18 Favored 'Trans proline' 0 CA--C 1.533 0.471 0 CA-C-N 118.802 1.301 . . . . 50.0 114.858 -177.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -98.39 21.52 10.97 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 108.791 -0.818 . . . . 50.0 108.791 -177.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 84.0 p -74.28 150.37 40.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.814 1.292 . . . . 50.0 113.922 -171.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.9 m -138.11 164.28 41.76 Favored Pre-proline 0 C--N 1.32 -0.704 0 N-CA-C 102.769 -3.048 . . . . 50.0 102.769 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -67.44 -8.2 21.43 Favored 'Trans proline' 0 N--CA 1.475 0.386 0 C-N-CA 117.704 -1.064 . . . . 50.0 114.651 -178.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -114.12 29.02 7.95 Favored Glycine 0 CA--C 1.507 -0.45 0 N-CA-C 111.262 -0.735 . . . . 50.0 111.262 177.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -92.4 136.83 32.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.397 0.617 . . . . 25.0 111.357 -178.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 49.1 mt -135.25 137.95 43.07 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 108.078 -1.082 . . . . 50.0 108.078 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -89.43 103.29 15.94 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 107.877 -1.157 . . . . 50.0 107.877 178.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -71.42 -36.74 71.43 Favored 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 114.841 -1.072 . . . . 50.0 108.366 -177.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 3.9 ttm -62.4 -27.42 69.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.746 0.784 . . . . 50.0 110.4 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 4.7 t -88.59 -14.25 38.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.195 -0.911 . . . . 50.0 113.352 -177.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -59.88 -43.08 94.94 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 121.975 -0.453 . . . . 50.0 111.839 -177.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 60.0 m -65.69 -6.98 13.03 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.334 0.864 . . . . 50.0 113.334 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 47.5 p -109.11 -18.67 13.59 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.129 0.418 . . . . 25.0 112.129 177.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -158.86 139.85 12.89 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 122.579 0.352 . . . . 25.0 111.542 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 4.3 pp -146.71 157.99 43.81 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 106.843 -1.54 . . . . 50.0 106.843 177.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -137.18 -1.53 2.14 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.172 1.175 . . . . 50.0 114.172 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -90.03 4.38 83.07 Favored Glycine 0 C--O 1.224 -0.499 0 N-CA-C 115.794 1.078 . . . . 25.0 115.794 -176.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -142.75 165.76 26.51 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 105.979 -1.86 . . . . 50.0 105.979 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 59.3 m -144.42 155.61 43.83 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 107.125 -1.435 . . . . 25.0 107.125 176.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -64.75 -35.28 80.58 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.56 0.538 . . . . 50.0 112.26 -178.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 34.0 tp . . . . . 0 C--O 1.248 1.016 0 CA-C-O 115.924 -1.988 . . . . 50.0 107.791 -178.124 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 . . . . . 0 C--O 1.225 -0.193 0 N-CA-C 111.434 0.161 . . . . 25.0 111.434 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -74.22 -56.02 5.38 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-O 121.013 0.435 . . . . 25.0 110.379 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 22.5 ptp -59.05 -24.54 62.96 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.195 -0.602 . . . . 25.0 110.974 178.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.5 -54.68 42.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.055 -0.52 . . . . 25.0 110.07 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -72.64 -33.45 66.61 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.43 -0.35 . . . . 25.0 110.799 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.1 -47.24 87.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.544 0.688 . . . . 25.0 110.374 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -69.12 -40.11 78.49 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 108.932 -0.766 . . . . 25.0 108.932 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.6 -39.88 92.04 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.273 0.842 . . . . 25.0 113.273 -177.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 8.3 p -68.59 -44.64 73.94 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.795 -0.362 . . . . 25.0 110.545 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -40.81 91.21 Favored 'General case' 0 C--O 1.208 -1.094 0 N-CA-C 107.788 -1.189 . . . . 25.0 107.788 177.063 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.99 -29.57 67.8 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.362 0.505 . . . . 25.0 112.362 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -71.59 -40.88 69.57 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.198 0.523 . . . . 25.0 110.257 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -82.3 -35.18 28.24 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.798 -0.637 . . . . 25.0 110.603 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -96.69 77.52 2.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.89 1.329 . . . . 25.0 108.331 -178.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -78.6 -6.96 57.03 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.185 -1.371 . . . . 25.0 111.506 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -87.43 -14.61 40.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 122.114 0.959 . . . . 25.0 109.005 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 50.1 m80 55.45 37.79 29.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 113.909 -1.496 . . . . 25.0 110.553 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 32.7 t -69.51 -26.72 64.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 122.299 1.047 . . . . 25.0 109.1 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 93.96 -1.03 67.49 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 109.183 -1.567 . . . . 25.0 109.183 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 39.9 p -146.37 154.5 41.72 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 109.088 -0.708 . . . . 25.0 109.088 -176.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 766' ' ' LEU . . . . . 0.469 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 22.8 mt -138.61 173.2 11.84 Favored 'General case' 0 CA--C 1.507 -0.684 0 O-C-N 123.99 0.807 . . . . 25.0 109.02 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.23 171.82 54.41 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.597 -0.811 . . . . 25.0 111.878 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -66.2 -29.71 46.92 Favored 'Trans proline' 0 C--O 1.217 -0.539 0 C-N-CA 121.25 1.3 . . . . 25.0 113.627 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -82.59 -37.14 25.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.987 -0.446 . . . . 25.0 110.513 178.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 770' ' ' GLU . . . . . 0.413 ' HB2' ' HB3' ' A' ' 766' ' ' LEU . 37.7 mm-40 -63.58 -54.81 30.25 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-O 121.199 0.523 . . . . 25.0 110.389 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 771' ' ' PHE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.4 OUTLIER -59.35 -28.05 66.49 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.603 0.964 . . . . 25.0 113.603 174.238 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -68.11 -45.13 74.51 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 118.595 0.634 . . . . 25.0 109.381 178.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -70.79 -26.55 63.38 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.343 0.592 . . . . 25.0 110.38 177.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 50.0 t -62.67 -29.94 71.02 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 122.007 -0.433 . . . . 25.0 111.569 176.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 16.1 mt -68.6 -35.96 78.03 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 58.4 mt -57.52 -34.65 47.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.367 -0.605 . . . . 25.0 109.367 -176.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -19.03 63.5 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.518 0.562 . . . . 25.0 112.518 178.703 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 22.8 mt -96.71 -15.36 21.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.834 0.349 . . . . 25.0 110.648 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 111.68 40.25 1.23 Allowed Glycine 0 N--CA 1.47 0.954 0 N-CA-C 115.208 0.843 . . . . 25.0 115.208 -178.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -108.94 132.15 54.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 122.284 -0.539 . . . . 25.0 109.957 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -81.72 47.91 1.14 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.699 0.8 . . . . 25.0 111.067 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 60.5 mt . . . . . 0 C--N 1.33 -0.264 0 N-CA-C 108.451 -0.944 . . . . 25.0 108.451 -175.789 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.204 -1.751 0 N-CA-C 108.012 -2.035 . . . . 25.0 108.012 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -61.43 -37.1 82.27 Favored 'General case' 0 C--N 1.317 -0.813 0 O-C-N 122.051 -0.676 . . . . 25.0 110.915 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -65.41 -36.86 85.22 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.586 0.708 . . . . 25.0 111.728 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -86.01 -25.96 25.67 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.399 -0.813 . . . . 25.0 110.97 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.24 -33.69 76.33 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.092 -1.077 . . . . 25.0 108.092 177.418 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.9 -29.12 68.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.468 0.651 . . . . 25.0 110.752 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -75.84 -42.64 49.07 Favored 'General case' 0 CA--C 1.503 -0.846 0 N-CA-C 108.028 -1.101 . . . . 25.0 108.028 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 71.6 mt -65.31 -49.85 76.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 114.158 -1.383 . . . . 25.0 111.201 -174.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 19.0 ptt? -61.09 -28.2 68.91 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.904 0.383 . . . . 25.0 111.51 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 49.8 m -74.39 -18.22 60.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.377 -0.827 . . . . 25.0 112.839 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 77.0 mt -93.7 -47.95 13.38 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.014 0 CA-C-O 121.027 0.441 . . . . 25.0 109.908 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.426 ' HB ' HG13 ' A' ' 807' ' ' VAL . 20.9 m -76.72 -14.99 14.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.805 -0.634 . . . . 25.0 111.473 -176.107 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -150.81 67.32 7.82 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 121.981 0.896 . . . . 25.0 112.502 -176.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -72.85 -6.83 19.73 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 118.447 -0.569 . . . . 25.0 112.095 177.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -92.36 -4.63 53.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.283 -0.261 . . . . 25.0 111.2 -179.315 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? 54.06 50.32 16.89 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.764 0.793 . . . . 25.0 111.522 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 86.7 mt -75.57 -24.6 56.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.079 -1.419 . . . . 25.0 108.693 175.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 83.94 20.65 59.05 Favored Glycine 0 C--O 1.223 -0.569 0 CA-C-N 115.035 -0.984 . . . . 25.0 111.064 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 9.9 m -147.08 156.53 10.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 117.547 0.674 . . . . 25.0 110.284 -176.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 807' ' ' VAL . . . . . 0.426 HG13 ' HB ' ' A' ' 799' ' ' VAL . 10.8 t -131.79 133.04 61.69 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.047 0 C-N-CA 123.113 0.565 . . . . 25.0 110.264 -177.68 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.73 160.85 14.15 Favored 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 109.376 -0.601 . . . . 25.0 109.376 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -54.22 -42.43 69.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.557 0.694 . . . . 25.0 109.468 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.84 -24.82 61.76 Favored 'General case' 0 C--N 1.316 -0.853 0 O-C-N 121.923 -0.486 . . . . 25.0 110.168 -175.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -75.14 -40.74 59.46 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.4 -0.52 . . . . 25.0 112.108 -177.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.413 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.1 p90 -68.4 -31.8 71.4 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 118.022 -1.471 . . . . 25.0 109.613 176.477 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 13.5 mm -63.27 -30.01 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 121.408 0.623 . . . . 25.0 109.554 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -59.37 -41.48 89.41 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.333 -0.394 . . . . 25.0 110.526 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 815' ' ' PHE . . . . . 0.413 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 4.3 p90 . . . . . 0 C--O 1.214 -0.776 0 C-N-CA 119.665 -0.814 . . . . 25.0 111.493 176.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.299 0 CA-C-O 121.441 0.639 . . . . 25.0 110.218 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.86 -42.67 98.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.894 -0.593 . . . . 25.0 110.79 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 54.9 m -66.6 -38.95 88.07 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.923 0.712 . . . . 25.0 112.923 -176.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -60.19 -39.52 86.81 Favored 'General case' 0 C--O 1.216 -0.669 0 C-N-CA 119.75 -0.78 . . . . 25.0 111.284 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -62.27 -23.36 66.66 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.572 0.582 . . . . 25.0 112.572 -178.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 74.9 mt -76.83 -42.6 33.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 108.309 -0.997 . . . . 25.0 108.309 -177.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.87 -28.2 24.55 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.282 -0.567 . . . . 25.0 112.364 -176.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.61 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -100.8 13.11 36.06 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 113.042 0.756 . . . . 25.0 113.042 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -61.72 -19.11 57.97 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 120.573 -0.823 . . . . 25.0 112.019 176.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -79.16 -18.52 52.94 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.14 0.576 . . . . 25.0 111.821 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -130.07 -169.77 2.19 Favored 'General case' 0 C--O 1.213 -0.858 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 -178.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -114.08 10.66 17.48 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 122.089 -0.382 . . . . 25.0 110.39 175.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -154.43 174.35 15.01 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 122.09 0.156 . . . . 25.0 110.75 -175.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 843' ' ' ILE . . . . . 0.61 HD12 ' HB2' ' A' ' 837' ' ' ALA . 2.2 tp -128.9 149.27 33.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 107.592 -1.262 . . . . 25.0 107.592 -176.667 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 45.0 p -100.53 159.14 15.39 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 121.036 -1.04 . . . . 25.0 109.969 172.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 72.6 mtm -59.85 -32.4 70.65 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 121.71 0.767 . . . . 25.0 109.941 175.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -66.5 -46.6 75.72 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.838 -0.619 . . . . 25.0 110.982 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -66.44 -46.36 76.71 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.979 -0.555 . . . . 25.0 111.442 -177.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.7 pp -65.49 -24.17 67.08 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.301 0.482 . . . . 25.0 112.301 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -71.41 -17.27 62.41 Favored 'General case' 0 C--O 1.222 -0.375 0 O-C-N 121.387 -0.82 . . . . 25.0 109.987 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -72.0 -27.12 62.53 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.329 -0.857 . . . . 25.0 109.06 175.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -81.54 -39.42 24.69 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 112.474 0.546 . . . . 25.0 112.474 -174.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.78 83.51 16.49 Favored Pre-proline 0 C--O 1.213 -0.865 0 N-CA-C 108.378 -0.971 . . . . 25.0 108.378 178.254 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -62.23 -24.34 76.06 Favored 'Trans proline' 0 CA--C 1.556 1.592 0 N-CA-C 120.622 3.278 . . . . 25.0 120.622 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -77.08 -161.2 0.13 Allowed 'Trans proline' 0 C--N 1.358 1.068 0 C-N-CA 115.165 -2.757 . . . . 25.0 111.363 177.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -59.18 -12.99 6.01 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 114.71 1.374 . . . . 25.0 114.71 -177.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -53.4 -37.05 62.14 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.911 -0.493 . . . . 25.0 110.136 174.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.34 -42.29 96.34 Favored 'General case' 0 C--O 1.218 -0.586 0 C-N-CA 122.148 0.179 . . . . 25.0 110.934 175.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -66.48 -40.81 89.51 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.144 -1.058 . . . . 25.0 108.144 -178.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -65.37 -26.73 68.14 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.887 -0.597 . . . . 25.0 109.853 177.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 44.2 m -77.34 -45.26 26.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.636 -0.665 . . . . 25.0 110.133 177.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 29.3 mt -60.51 -35.01 60.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.18 -8.41 17.11 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.057 1.132 . . . . 25.0 114.057 177.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -123.01 -29.04 3.98 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.549 0.944 . . . . 25.0 113.549 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.09 140.69 58.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.648 0.737 . . . . 25.0 112.873 -176.223 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -71.72 142.28 85.77 Favored Pre-proline 0 C--O 1.216 -0.695 0 CA-C-N 115.67 -0.695 . . . . 25.0 109.327 -177.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -76.0 153.1 36.88 Favored 'Trans proline' 0 C--N 1.349 0.563 0 CA-C-N 119.236 0.763 . . . . 25.0 112.88 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -117.37 127.99 54.59 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.365 0.876 . . . . 25.0 113.365 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 3.0 m -134.39 53.95 1.97 Allowed 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.899 0.857 . . . . 25.0 109.051 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -96.34 -164.82 33.48 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-N 115.644 -0.707 . . . . 25.0 112.54 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.57 -25.08 35.11 Favored 'Trans proline' 0 C--O 1.221 -0.331 0 CA-C-N 118.994 1.397 . . . . 25.0 115.06 -177.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -99.6 17.95 19.2 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.643 0.735 . . . . 25.0 110.937 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 15.6 p -69.58 146.1 52.02 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 115.153 1.538 . . . . 25.0 115.153 -172.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 8.9 m -134.89 163.62 49.93 Favored Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 102.619 -3.104 . . . . 25.0 102.619 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -58.31 -25.36 72.33 Favored 'Trans proline' 0 C--N 1.351 0.703 0 N-CA-C 115.678 1.376 . . . . 25.0 115.678 -176.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -104.42 28.47 14.92 Favored Glycine 0 C--O 1.225 -0.408 0 C-N-CA 120.743 -0.741 . . . . 25.0 113.798 178.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -85.13 133.75 34.2 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 122.011 -0.7 . . . . 25.0 110.795 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 60.4 mt -135.62 139.18 43.6 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.518 -1.29 . . . . 25.0 107.518 -178.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -88.21 101.26 13.66 Favored 'General case' 0 C--N 1.312 -1.06 0 O-C-N 121.144 -0.972 . . . . 25.0 109.513 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -74.29 -29.09 61.49 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-N 115.968 -0.56 . . . . 25.0 110.404 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -34.72 78.37 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.209 -1.034 . . . . 25.0 108.209 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 8.0 t -77.01 -32.18 56.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.388 -1.278 . . . . 25.0 112.188 -177.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -51.83 -41.12 61.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.255 0.55 . . . . 25.0 112.052 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 9.6 t -47.83 -30.94 4.45 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 115.871 1.804 . . . . 25.0 115.871 173.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 9.1 t -115.78 -8.3 12.0 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.281 1.215 . . . . 25.0 114.281 -179.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -152.99 136.16 15.65 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.324 0.49 . . . . 25.0 112.324 -178.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 1.5 pt? . . . . . 0 N--CA 1.467 0.393 0 N-CA-C 105.622 -1.992 . . . . 25.0 105.622 178.257 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 119.724 -0.179 . . . . 25.0 111.233 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.76 -57.17 4.29 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.234 0.54 . . . . 25.0 109.883 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 22.3 ptp -57.74 -25.46 60.44 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.674 -0.81 . . . . 25.0 111.091 178.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -54.45 36.16 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.545 -0.752 . . . . 25.0 110.791 179.163 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -72.78 -31.67 65.04 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.246 -0.434 . . . . 25.0 110.001 -177.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -59.11 -48.65 80.84 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.476 -0.564 . . . . 25.0 109.476 174.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -65.27 -45.37 84.79 Favored 'General case' 0 CA--C 1.508 -0.635 0 O-C-N 122.252 -0.28 . . . . 25.0 110.511 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -62.46 -39.24 92.76 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.554 0.575 . . . . 25.0 112.554 -178.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 44.5 m -66.86 -43.96 82.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 118.198 0.454 . . . . 25.0 110.842 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -41.19 97.42 Favored 'General case' 0 C--O 1.208 -1.11 0 N-CA-C 108.597 -0.89 . . . . 25.0 108.597 177.479 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.42 -32.52 71.54 Favored 'General case' 0 C--O 1.22 -0.498 0 N-CA-C 112.798 0.666 . . . . 25.0 112.798 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -67.19 -37.3 83.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.058 0.456 . . . . 25.0 110.371 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -87.21 -35.79 18.35 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.016 -0.538 . . . . 25.0 110.09 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 759' ' ' ASP . . . . . 0.469 ' HA ' HD21 ' A' ' 766' ' ' LEU . 57.0 t0 -88.57 69.68 8.87 Favored 'General case' 0 CA--C 1.502 -0.897 0 CA-C-O 122.613 1.197 . . . . 25.0 108.457 -179.251 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 27.3 mtp-105 -75.44 -1.99 26.61 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 113.964 -1.471 . . . . 25.0 110.913 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -95.26 -11.41 27.99 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 107.722 -1.214 . . . . 25.0 107.722 178.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 53.22 36.28 22.2 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 114.474 -1.239 . . . . 25.0 111.849 -178.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 45.2 t -69.13 -27.35 65.48 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.902 -1.045 . . . . 25.0 110.572 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 94.63 1.63 63.74 Favored Glycine 0 C--O 1.241 0.561 0 N-CA-C 109.003 -1.639 . . . . 25.0 109.003 -177.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -149.56 154.94 39.5 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 123.536 0.734 . . . . 25.0 109.189 -175.424 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 766' ' ' LEU . . . . . 0.469 HD21 ' HA ' ' A' ' 759' ' ' ASP . 14.5 mt -137.2 173.43 11.7 Favored 'General case' 0 CA--C 1.503 -0.844 0 N-CA-C 108.1 -1.074 . . . . 25.0 108.1 177.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.65 171.01 54.53 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 109.025 -1.63 . . . . 25.0 109.025 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -66.98 -34.05 30.49 Favored 'Trans proline' 0 C--O 1.221 -0.36 0 CA-C-N 118.499 1.15 . . . . 25.0 112.176 -178.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -74.42 -37.41 63.33 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.099 0.476 . . . . 25.0 111.029 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 82.0 mm-40 -64.28 -55.02 24.27 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.719 -0.474 . . . . 25.0 109.719 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 771' ' ' PHE . . . . . 0.455 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.4 OUTLIER -58.01 -33.52 69.04 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 112.677 0.621 . . . . 25.0 112.677 174.688 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -60.79 -46.99 88.34 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.056 0.844 . . . . 25.0 110.487 176.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -73.42 -24.21 60.23 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.467 0.651 . . . . 25.0 111.016 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 50.1 t -64.86 -35.1 80.05 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.726 -0.842 . . . . 25.0 108.726 176.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 10.6 mt -66.11 -33.94 76.92 Favored 'General case' 0 C--O 1.21 -0.983 0 CA-C-O 121.083 0.468 . . . . 25.0 109.983 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.99 -32.75 48.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 121.125 0.488 . . . . 25.0 110.301 -177.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 16.1 m -62.96 -20.73 65.53 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.158 0.429 . . . . 25.0 112.158 178.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 19.2 mt -92.61 -20.55 20.76 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.192 -0.458 . . . . 25.0 110.463 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 121.39 30.97 1.21 Allowed Glycine 0 N--CA 1.463 0.497 0 CA-C-N 115.802 -0.636 . . . . 25.0 114.563 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -98.58 143.34 29.09 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 105.628 -1.99 . . . . 25.0 105.628 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -101.78 31.07 4.01 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.723 0.773 . . . . 25.0 110.861 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 77.8 mt . . . . . 0 C--N 1.326 -0.448 0 N-CA-C 105.285 -2.117 . . . . 25.0 105.285 -178.202 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -1.289 0 N-CA-C 108.985 -1.646 . . . . 25.0 108.985 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.82 -33.36 70.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 118.441 1.12 . . . . 25.0 111.924 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -62.54 -38.29 89.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.444 -0.344 . . . . 25.0 111.055 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -92.89 -20.47 20.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.856 0.836 . . . . 25.0 111.561 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.56 -33.31 70.98 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 107.251 -1.388 . . . . 25.0 107.251 175.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -60.01 -33.38 71.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.467 -0.333 . . . . 25.0 111.663 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -82.12 -28.4 32.25 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.419 HG23 ' CE2' ' A' ' 815' ' ' PHE . 52.4 mt -69.43 -50.77 48.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.791 -0.448 . . . . 25.0 109.791 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 27.3 ptm -60.59 -31.67 70.81 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-O 120.781 0.325 . . . . 25.0 110.943 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 71.2 m -67.76 -20.31 65.21 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.402 0.519 . . . . 25.0 112.402 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 69.2 mt -95.19 -47.65 13.08 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.6 0 CA-C-O 121.131 0.491 . . . . 25.0 111.088 -177.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 31.5 m -76.27 -14.4 14.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.98 -0.554 . . . . 25.0 111.741 -177.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -154.08 68.53 6.05 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-O 121.725 0.774 . . . . 25.0 110.842 -176.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -70.94 -13.11 31.5 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 117.309 -1.327 . . . . 25.0 112.555 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.19 -7.86 57.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 25.0 111.793 -177.575 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 58.47 47.2 13.94 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 121.644 0.735 . . . . 25.0 111.2 -178.289 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 85.5 mt -70.98 -25.36 62.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.737 -1.12 . . . . 25.0 108.05 175.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 88.43 20.23 49.24 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.253 -0.885 . . . . 25.0 111.798 178.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 6.1 m -145.16 152.54 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 CA-C-N 117.137 0.469 . . . . 25.0 110.405 -176.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 14.1 t -130.74 131.48 64.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.908 -0.775 . . . . 25.0 108.908 179.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.2 161.36 13.85 Favored 'General case' 0 CA--C 1.502 -0.88 0 N-CA-C 109.305 -0.628 . . . . 25.0 109.305 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -53.65 -42.91 68.33 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 115.203 -0.908 . . . . 25.0 110.053 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -21.12 59.61 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 121.756 -0.59 . . . . 25.0 109.714 -174.573 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -76.93 -41.78 42.03 Favored 'General case' 0 C--O 1.215 -0.731 0 C-N-CA 120.373 -0.531 . . . . 25.0 111.225 -178.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.436 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 0.9 OUTLIER -67.59 -30.53 70.16 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 118.742 -1.183 . . . . 25.0 109.65 177.066 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 17.1 mm -64.05 -26.84 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-O 121.362 0.601 . . . . 25.0 109.968 177.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.56 -49.99 75.32 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.275 -0.639 . . . . 25.0 109.275 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 815' ' ' PHE . . . . . 0.436 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.8 p90 . . . . . 0 C--O 1.209 -1.049 0 C-N-CA 119.005 -1.078 . . . . 25.0 111.321 -177.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 830' ' ' MET . . . . . 0.41 ' HE1' ' O ' ' A' ' 879' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.59 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.74 -41.73 91.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.933 -0.576 . . . . 25.0 110.409 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 60.1 p -60.22 -41.37 92.93 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.17 0.433 . . . . 25.0 112.17 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -68.45 -34.32 75.75 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.798 -0.564 . . . . 25.0 109.763 -179.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -68.2 -21.32 64.87 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.59 0.589 . . . . 25.0 112.59 -178.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 72.5 mt -83.78 -39.66 15.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 108.599 -0.889 . . . . 25.0 108.599 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.72 -29.83 25.24 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.052 -0.659 . . . . 25.0 111.758 -175.167 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.625 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -108.59 17.35 22.09 Favored 'General case' 0 C--O 1.205 -1.266 0 CA-C-N 115.707 -0.679 . . . . 25.0 112.424 -178.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -58.12 -24.97 56.21 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 109.21 -1.556 . . . . 25.0 109.21 171.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -67.79 -25.33 65.54 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.897 0.703 . . . . 25.0 112.897 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -128.5 178.51 6.24 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 118.776 0.717 . . . . 25.0 111.119 -176.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -102.89 14.73 31.26 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.859 -0.793 . . . . 25.0 108.859 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -159.43 175.82 12.86 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.296 -1.001 . . . . 25.0 108.296 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 843' ' ' ILE . . . . . 0.625 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.5 OUTLIER -136.77 155.27 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 N-CA-C 108.09 -1.078 . . . . 25.0 108.09 -178.015 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 37.4 p -103.68 158.14 16.58 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.543 0.687 . . . . 25.0 109.811 172.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 72.4 mtm -58.81 -36.49 74.57 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.554 -1.203 . . . . 25.0 109.931 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -68.57 -35.9 78.03 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.716 -0.675 . . . . 25.0 112.265 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -71.62 -46.37 59.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 122.234 -0.291 . . . . 25.0 111.455 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.2 pp -68.38 -26.53 65.61 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.607 -0.437 . . . . 25.0 110.039 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 22.5 mtt-85 -64.79 -12.76 51.24 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.06 0.763 . . . . 25.0 113.06 177.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 4.1 ptp85 -79.74 -29.46 40.58 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.102 0.477 . . . . 25.0 110.544 177.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -82.6 -37.93 24.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.472 -0.785 . . . . 25.0 110.13 -172.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.94 79.04 69.4 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 108.483 -0.932 . . . . 25.0 108.483 176.191 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -54.53 -33.26 77.64 Favored 'Trans proline' 0 CA--C 1.55 1.304 0 N-CA-C 118.69 2.535 . . . . 25.0 118.69 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -77.03 -166.74 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 C-N-CA 114.667 -3.089 . . . . 25.0 112.792 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -51.88 -16.54 0.73 Allowed 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.953 1.464 . . . . 25.0 114.953 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -52.98 -35.81 59.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.923 -0.486 . . . . 25.0 111.365 176.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -65.81 -39.7 91.16 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 120.799 -0.361 . . . . 25.0 111.338 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -65.21 -42.23 93.68 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.588 -0.893 . . . . 25.0 108.588 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -65.86 -29.32 69.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.792 -0.64 . . . . 25.0 110.283 177.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 36.5 m -73.16 -40.84 64.52 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 109.658 -0.497 . . . . 25.0 109.658 178.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 19.8 mt -64.08 -37.28 79.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.069 -0.715 . . . . 25.0 109.069 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -68.16 -13.54 62.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.096 -0.502 . . . . 25.0 111.937 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -107.45 -33.25 7.41 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 112.819 0.674 . . . . 25.0 112.819 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 6.1 ttm -66.87 160.77 25.39 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 113.268 0.84 . . . . 25.0 113.268 -175.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -86.33 142.82 35.86 Favored Pre-proline 0 C--N 1.319 -0.744 0 N-CA-C 107.368 -1.345 . . . . 25.0 107.368 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -76.29 152.11 34.59 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 CA-C-N 118.69 0.568 . . . . 25.0 111.978 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -109.17 138.33 45.69 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 113.745 1.017 . . . . 25.0 113.745 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 59.4 m -140.26 123.62 16.93 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 105.14 -2.17 . . . . 25.0 105.14 172.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -177.94 -170.13 39.76 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.459 -0.876 . . . . 25.0 111.883 -177.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.72 -28.15 31.03 Favored 'Trans proline' 0 C--O 1.221 -0.338 0 CA-C-N 119.067 1.434 . . . . 25.0 114.494 -177.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -98.9 16.74 21.42 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.747 0.785 . . . . 25.0 109.832 -177.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 83.0 p -72.95 148.53 44.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 122.632 1.206 . . . . 25.0 113.524 -174.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 5.6 m -138.17 163.55 46.77 Favored Pre-proline 0 C--N 1.318 -0.779 0 N-CA-C 103.109 -2.922 . . . . 25.0 103.109 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.37 -7.91 21.49 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 116.949 -1.567 . . . . 25.0 115.381 -176.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -115.53 32.64 5.61 Favored Glycine 0 C--O 1.223 -0.566 0 N-CA-C 112.28 -0.328 . . . . 25.0 112.28 177.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -94.37 137.67 33.24 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.733 0.642 . . . . 25.0 112.733 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 49.4 mt -134.87 143.22 46.87 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 106.814 -1.55 . . . . 25.0 106.814 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -91.45 111.08 22.43 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 106.452 -1.685 . . . . 25.0 106.452 177.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 879' ' ' TYR . . . . . 0.41 ' O ' ' HE1' ' A' ' 830' ' ' MET . 8.6 p90 -84.79 -33.24 23.02 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-O 121.603 0.716 . . . . 25.0 109.439 -178.063 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 3.3 mtt -65.08 -24.31 67.42 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.766 -0.827 . . . . 25.0 108.766 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.8 t -89.96 -16.92 28.89 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.219 -0.901 . . . . 25.0 113.162 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -56.74 -39.1 73.35 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.141 0.793 . . . . 25.0 113.141 -177.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 24.4 m -58.2 -24.36 58.82 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.151 1.167 . . . . 25.0 114.151 178.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 14.7 t -109.09 -7.73 15.28 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.85 0.685 . . . . 25.0 112.85 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -153.71 127.6 8.89 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.232 0.456 . . . . 25.0 112.232 -177.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--N 1.325 -0.47 0 N-CA-C 106.188 -1.782 . . . . 25.0 106.188 177.671 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 . . . . . 0 N--CA 1.454 -0.24 0 CA-C-O 119.515 -0.278 . . . . 25.0 110.993 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.05 -55.85 7.38 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 121.247 0.546 . . . . 25.0 110.278 178.222 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 23.7 ptp -59.17 -26.27 64.64 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 119.566 -0.854 . . . . 25.0 110.385 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -56.37 20.31 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.052 -0.522 . . . . 25.0 109.778 178.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -72.0 -30.78 65.58 Favored 'General case' 0 C--O 1.215 -0.742 0 CA-C-N 116.674 -0.239 . . . . 25.0 110.881 -177.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -59.47 -50.45 73.88 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.917 -0.772 . . . . 25.0 108.917 175.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -65.25 -44.3 88.57 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 116.289 -0.414 . . . . 25.0 110.773 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -66.7 -37.93 85.73 Favored 'General case' 0 C--O 1.209 -1.034 0 N-CA-C 112.371 0.508 . . . . 25.0 112.371 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 43.4 m -69.09 -42.17 76.5 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 118.584 0.629 . . . . 25.0 111.21 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -41.74 98.21 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 107.942 -1.133 . . . . 25.0 107.942 176.077 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.92 -34.04 75.85 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.226 0.454 . . . . 25.0 112.226 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -69.38 -36.47 76.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.905 -0.497 . . . . 25.0 110.809 -177.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -84.65 -35.97 22.27 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 109.949 -0.389 . . . . 25.0 109.949 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -87.09 67.92 9.85 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-O 123.018 1.39 . . . . 25.0 108.385 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -72.29 -8.03 52.69 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 113.746 -1.57 . . . . 25.0 110.552 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -93.76 -0.14 56.05 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.671 -0.863 . . . . 25.0 108.671 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 20.5 p80 40.48 39.06 0.66 Allowed 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.252 1.421 . . . . 25.0 114.701 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 89.1 p -78.71 -19.5 52.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.671 -0.695 . . . . 25.0 111.306 -179.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 94.88 -1.31 65.38 Favored Glycine 0 C--O 1.242 0.603 0 N-CA-C 109.894 -1.282 . . . . 25.0 109.894 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 28.2 p -143.73 165.49 27.52 Favored 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 122.833 0.453 . . . . 25.0 110.755 -176.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 766' ' ' LEU . . . . . 0.483 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 15.2 mt -145.32 171.67 14.25 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 109.086 -0.709 . . . . 25.0 109.086 176.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.52 174.13 55.18 Favored Glycine 0 N--CA 1.451 -0.355 0 N-CA-C 111.002 -0.839 . . . . 25.0 111.002 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -68.78 -29.02 29.59 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 CA-C-N 118.601 1.2 . . . . 25.0 113.009 -176.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 63.9 tt0 -80.59 -37.91 30.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.059 0.457 . . . . 25.0 110.676 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -64.48 -54.12 37.52 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.089 -0.505 . . . . 25.0 110.882 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 771' ' ' PHE . . . . . 0.483 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -60.44 -28.07 68.01 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 113.198 0.814 . . . . 25.0 113.198 175.347 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -68.06 -44.88 75.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 118.628 0.649 . . . . 25.0 109.754 177.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -73.26 -24.41 60.44 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.293 0.568 . . . . 25.0 111.019 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 46.3 t -61.84 -35.35 77.99 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.161 -0.681 . . . . 25.0 109.161 175.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 16.2 mt -67.3 -33.04 74.44 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-O 120.816 0.341 . . . . 25.0 110.188 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.4 mt -59.04 -34.25 52.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 109.334 -0.617 . . . . 25.0 109.334 -177.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 15.7 m -64.1 -19.01 64.95 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.538 0.569 . . . . 25.0 112.538 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 18.8 mt -94.11 -18.12 22.1 Favored 'General case' 0 C--O 1.219 -0.536 0 O-C-N 123.81 0.693 . . . . 25.0 110.342 179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 115.26 35.32 1.34 Allowed Glycine 0 C--N 1.332 0.336 0 N-CA-C 114.924 0.73 . . . . 25.0 114.924 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -101.53 133.54 46.03 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.325 -0.991 . . . . 25.0 108.325 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -85.78 49.76 1.83 Allowed 'General case' 0 CA--C 1.546 0.825 0 CA-C-O 121.962 0.887 . . . . 25.0 110.158 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 52.4 mt . . . . . 0 C--N 1.328 -0.366 0 N-CA-C 108.567 -0.901 . . . . 25.0 108.567 -175.129 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.208 -1.476 0 N-CA-C 110.132 -1.187 . . . . 25.0 110.132 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.16 -35.95 76.47 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.697 -0.884 . . . . 25.0 110.798 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.02 85.86 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.409 -0.359 . . . . 25.0 111.471 -178.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -87.69 -25.99 23.21 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 121.761 0.791 . . . . 25.0 110.402 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -68.93 -35.09 76.4 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.821 -0.807 . . . . 25.0 108.821 178.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -60.8 -28.58 68.88 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-O 121.567 0.698 . . . . 25.0 111.165 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -79.34 -38.43 35.15 Favored 'General case' 0 CA--C 1.482 -1.653 0 CA-C-O 123.655 1.693 . . . . 25.0 111.06 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 57.5 mt -65.73 -47.75 84.8 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.404 0 CA-C-N 113.614 -1.63 . . . . 25.0 109.014 -176.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 25.8 ptm -62.98 -29.16 70.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.035 0.445 . . . . 25.0 110.657 -178.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 49.7 m -72.66 -17.73 61.63 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.891 0.33 . . . . 25.0 111.891 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 74.5 mt -95.19 -47.74 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.621 0 CA-C-O 121.07 0.462 . . . . 25.0 110.839 -177.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 33.2 m -74.81 -15.88 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.837 -0.62 . . . . 25.0 112.034 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -150.19 65.1 7.16 Favored Pre-proline 0 CA--C 1.541 0.627 0 N-CA-C 113.341 0.867 . . . . 25.0 113.341 -175.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -74.15 -5.46 17.01 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 117.543 -1.171 . . . . 25.0 111.528 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.77 -11.38 51.19 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.159 -0.473 . . . . 25.0 110.901 -178.593 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 60.12 47.44 9.48 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.82 0.848 . . . . 25.0 111.085 -177.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 89.1 mt -72.81 -26.46 61.51 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.997 -1.112 . . . . 25.0 107.997 175.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.01 18.25 61.49 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 114.907 -1.042 . . . . 25.0 110.927 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 13.9 m -149.18 158.06 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 109.713 -0.476 . . . . 25.0 109.713 -175.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 11.4 t -130.14 133.97 63.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.463 -0.569 . . . . 25.0 109.463 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.26 161.65 13.71 Favored 'General case' 0 CA--C 1.508 -0.66 0 N-CA-C 108.985 -0.746 . . . . 25.0 108.985 178.248 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -54.08 -41.24 68.01 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-O 121.787 0.804 . . . . 25.0 110.433 177.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -21.57 58.93 Favored 'General case' 0 C--N 1.316 -0.879 0 O-C-N 121.188 -0.945 . . . . 25.0 109.973 -175.676 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -75.8 -41.98 51.31 Favored 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 120.404 -0.518 . . . . 25.0 111.23 -177.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 812' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.8 -30.56 70.79 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 119.637 -0.825 . . . . 25.0 109.452 176.568 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 17.3 mm -64.81 -25.9 38.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 N-CA-C 109.663 -0.495 . . . . 25.0 109.663 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -63.15 -43.57 97.93 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 121.291 -0.881 . . . . 25.0 110.85 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.3 p90 . . . . . 0 C--N 1.328 -0.359 0 C-N-CA 119.022 -1.071 . . . . 25.0 111.355 177.33 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 9.5 tpt . . . . . 0 C--O 1.238 0.488 0 CA-C-O 121.529 0.68 . . . . 25.0 110.215 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -63.61 -36.22 83.1 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.697 -0.683 . . . . 25.0 110.405 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 57.7 p -61.89 -42.12 98.7 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 120.734 -0.386 . . . . 25.0 111.255 -178.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -64.66 -38.07 89.75 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 122.054 0.931 . . . . 25.0 110.07 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -69.32 -20.13 63.87 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.398 -0.819 . . . . 25.0 112.862 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 52.7 mt -81.25 -40.67 18.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 107.649 -1.241 . . . . 25.0 107.649 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.62 -31.63 24.13 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.849 -0.74 . . . . 25.0 111.654 -175.074 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.525 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -106.7 17.54 23.09 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 112.156 0.428 . . . . 25.0 112.156 -177.354 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -65.21 -8.71 38.22 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.75 -0.94 . . . . 25.0 110.75 173.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -80.64 -21.68 41.22 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 122.681 0.393 . . . . 25.0 110.021 175.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -129.82 -162.65 1.22 Allowed 'General case' 0 C--O 1.217 -0.651 0 CA-C-O 121.671 0.748 . . . . 25.0 110.69 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -120.21 11.71 11.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.217 -0.901 . . . . 25.0 108.727 178.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -157.59 173.35 16.99 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 107.117 -1.438 . . . . 25.0 107.117 -176.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 843' ' ' ILE . . . . . 0.525 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.9 OUTLIER -136.67 154.24 31.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 107.755 -1.202 . . . . 25.0 107.755 -176.894 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 40.6 p -102.33 160.67 14.33 Favored 'General case' 0 C--N 1.31 -1.135 0 O-C-N 120.869 -1.145 . . . . 25.0 109.021 173.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 74.3 mtm -59.75 -31.83 70.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.049 -0.978 . . . . 25.0 110.202 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -70.88 -42.66 69.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.312 0.577 . . . . 25.0 109.899 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -65.24 -45.72 83.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.272 -0.422 . . . . 25.0 111.889 -178.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.6 pp -71.15 -26.69 63.11 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.608 -0.837 . . . . 25.0 111.193 -177.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -71.75 -9.91 58.98 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.802 -0.561 . . . . 25.0 111.535 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 850' ' ' ARG . . . . . 0.433 ' HG2' ' HG2' ' A' ' 851' ' ' GLU . 6.0 ptm180 -71.06 -27.98 64.03 Favored 'General case' 0 C--O 1.221 -0.434 0 O-C-N 121.343 -0.848 . . . . 25.0 109.069 179.033 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 851' ' ' GLU . . . . . 0.433 ' HG2' ' HG2' ' A' ' 850' ' ' ARG . 13.4 mm-40 -83.8 -40.71 18.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.269 -0.878 . . . . 25.0 110.222 -176.47 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.81 82.03 65.58 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.372 -0.831 . . . . 25.0 109.409 -178.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -62.27 -26.85 77.58 Favored 'Trans proline' 0 CA--C 1.558 1.722 0 N-CA-C 118.635 2.514 . . . . 25.0 118.635 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -77.54 -162.62 0.18 Allowed 'Trans proline' 0 C--N 1.362 1.278 1 C-N-CA 113.249 -4.034 . . . . 25.0 111.953 177.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -55.51 -15.97 3.34 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 114.883 1.438 . . . . 25.0 114.883 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -51.36 -38.58 53.99 Favored 'General case' 0 C--O 1.218 -0.556 0 O-C-N 121.867 -0.52 . . . . 25.0 111.485 174.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -66.31 -37.97 86.65 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 122.047 -0.408 . . . . 25.0 111.406 177.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -68.05 -38.85 82.94 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.144 -0.688 . . . . 25.0 109.144 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -65.62 -31.03 71.83 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.195 -0.669 . . . . 25.0 109.195 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 59.2 m -72.8 -42.66 63.67 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 109.887 -0.412 . . . . 25.0 109.887 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 23.8 mt -62.1 -38.49 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 109.572 -0.529 . . . . 25.0 109.572 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -63.84 -17.91 63.62 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.557 0.577 . . . . 25.0 112.557 177.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -109.01 -22.72 12.03 Favored 'General case' 0 C--O 1.219 -0.553 0 O-C-N 121.497 -0.752 . . . . 25.0 112.843 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 6.9 ttm -68.4 164.68 20.4 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-O 121.104 0.478 . . . . 25.0 111.356 -177.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -95.4 145.68 29.97 Favored Pre-proline 0 N--CA 1.44 -0.967 0 N-CA-C 107.023 -1.473 . . . . 25.0 107.023 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -75.85 154.58 38.66 Favored 'Trans proline' 0 CA--C 1.52 -0.185 0 CA-C-N 118.665 0.559 . . . . 25.0 112.331 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -112.38 131.4 55.56 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.188 0.518 . . . . 25.0 110.768 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 5.0 t -137.28 40.97 2.45 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 122.402 1.096 . . . . 25.0 108.313 -177.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -90.35 -170.48 43.7 Favored Glycine 0 C--O 1.227 -0.329 0 CA-C-N 115.38 -0.827 . . . . 25.0 114.085 -177.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -68.99 -30.31 26.06 Favored 'Trans proline' 0 C--O 1.217 -0.536 0 CA-C-N 118.319 1.059 . . . . 25.0 114.73 -178.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -98.95 28.68 4.22 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.77 0.795 . . . . 25.0 109.305 -177.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 59.7 p -77.19 152.35 34.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.962 0.887 . . . . 25.0 113.368 -175.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 13.7 m -136.61 161.75 60.12 Favored Pre-proline 0 C--N 1.318 -0.8 0 N-CA-C 105.227 -2.138 . . . . 25.0 105.227 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -58.71 -17.38 35.48 Favored 'Trans proline' 0 C--N 1.353 0.77 0 N-CA-C 115.733 1.397 . . . . 25.0 115.733 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -114.14 32.5 5.92 Favored Glycine 0 C--O 1.23 -0.128 0 C-N-CA 121.742 -0.266 . . . . 25.0 113.107 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -93.34 139.84 30.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.295 0.569 . . . . 25.0 112.152 -177.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 76.6 mt -136.39 141.88 43.7 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.401 -0.963 . . . . 25.0 108.401 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -89.9 104.39 16.96 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 106.418 -1.697 . . . . 25.0 106.418 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -78.61 -33.37 47.45 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.403 -0.817 . . . . 25.0 108.993 -177.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 11.1 ttp -62.78 -30.2 71.28 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.871 -0.788 . . . . 25.0 108.871 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 8.1 t -81.97 -24.36 35.54 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.075 -0.966 . . . . 25.0 112.646 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -56.76 -41.06 76.94 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 122.094 -0.379 . . . . 25.0 111.725 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 22.0 t -55.04 -19.99 8.37 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.723 1.008 . . . . 25.0 113.723 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 31.1 p -108.74 -17.63 13.9 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 114.059 1.133 . . . . 25.0 114.059 -177.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -156.93 142.43 17.49 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 -177.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.6 pt? . . . . . 0 C--O 1.222 -0.392 0 N-CA-C 107.57 -1.27 . . . . 25.0 107.57 177.034 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 . . . . . 0 C--O 1.223 -0.319 0 N-CA-C 110.661 -0.126 . . . . 25.0 110.661 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -74.43 -57.36 3.99 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.438 0.637 . . . . 25.0 110.092 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 24.8 ptp -57.59 -24.29 55.48 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.595 -0.691 . . . . 25.0 110.533 177.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.05 -56.17 21.7 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 110.221 -0.288 . . . . 25.0 110.221 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.92 -34.55 73.62 Favored 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 109.965 -0.383 . . . . 25.0 109.965 -177.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -59.73 -49.07 79.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.519 0.676 . . . . 25.0 110.131 176.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -67.4 -44.09 79.68 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 116.332 -0.395 . . . . 25.0 110.002 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.0 89.49 Favored 'General case' 0 C--O 1.209 -1.05 0 CA-C-O 119.385 -0.341 . . . . 25.0 111.324 -177.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 51.1 m -67.57 -44.36 78.39 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 118.406 0.548 . . . . 25.0 111.19 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -41.44 97.0 Favored 'General case' 0 C--O 1.206 -1.201 0 N-CA-C 108.591 -0.892 . . . . 25.0 108.591 176.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.73 -31.58 69.64 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 112.817 0.673 . . . . 25.0 112.817 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -68.13 -32.72 73.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.854 -0.529 . . . . 25.0 110.178 -178.124 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -91.1 -38.69 12.6 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 109.1 -0.704 . . . . 25.0 109.1 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -89.84 69.57 7.56 Favored 'General case' 0 CA--C 1.498 -1.019 0 CA-C-O 122.506 1.146 . . . . 25.0 109.657 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -78.74 -0.87 31.99 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.357 -1.292 . . . . 25.0 110.766 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -92.27 -11.52 35.03 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.657 -0.868 . . . . 25.0 108.657 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 54.02 38.14 28.31 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.243 1.017 . . . . 25.0 111.159 -178.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 33.8 t -70.63 -23.51 62.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 122.298 1.046 . . . . 25.0 109.541 177.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 88.52 0.61 81.91 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 109.663 -1.375 . . . . 25.0 109.663 -178.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 5.9 p -148.16 159.8 43.57 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 108.557 -0.905 . . . . 25.0 108.557 -176.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 766' ' ' LEU . . . . . 0.481 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 16.0 mt -141.76 172.72 12.3 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 108.401 -0.962 . . . . 25.0 108.401 177.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -78.04 172.7 55.21 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.268 -0.733 . . . . 25.0 111.268 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -66.88 -30.13 40.56 Favored 'Trans proline' 0 C--O 1.224 -0.201 0 CA-C-N 118.636 1.218 . . . . 25.0 112.512 -177.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -82.28 -36.99 26.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.169 0.509 . . . . 25.0 111.249 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.03 -54.33 39.89 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 121.193 0.52 . . . . 25.0 110.218 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 771' ' ' PHE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.4 OUTLIER -60.79 -30.75 70.23 Favored 'General case' 0 C--O 1.214 -0.804 0 N-CA-C 113.071 0.767 . . . . 25.0 113.071 174.865 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -64.16 -44.66 91.39 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 118.829 0.741 . . . . 25.0 109.633 177.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -74.17 -23.55 59.25 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.6 0.714 . . . . 25.0 111.843 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 42.1 t -63.35 -35.96 82.12 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.482 -0.933 . . . . 25.0 108.482 175.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 17.1 mt -65.73 -32.91 74.73 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 120.885 0.374 . . . . 25.0 110.845 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 65.3 mt -59.18 -33.55 50.97 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 N-CA-C 109.581 -0.526 . . . . 25.0 109.581 -177.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 16.4 m -65.2 -18.25 65.16 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.608 0.596 . . . . 25.0 112.608 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 22.8 mt -94.7 -18.05 21.65 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-O 121.725 0.774 . . . . 25.0 110.404 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 115.47 35.48 1.29 Allowed Glycine 0 C--N 1.329 0.171 0 CA-C-N 115.121 -0.945 . . . . 25.0 114.93 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -101.24 134.2 44.65 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.764 -0.828 . . . . 25.0 108.764 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -85.08 48.74 1.61 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.913 0.885 . . . . 25.0 110.86 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 41.5 mt . . . . . 0 C--N 1.327 -0.408 0 N-CA-C 107.971 -1.122 . . . . 25.0 107.971 -174.174 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.206 -1.601 0 N-CA-C 108.704 -1.758 . . . . 25.0 108.704 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -60.34 -34.81 74.36 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.55 -0.971 . . . . 25.0 112.096 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.5 -36.8 84.98 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.762 -0.199 . . . . 25.0 111.35 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -88.76 -28.5 20.45 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.474 0.654 . . . . 25.0 110.956 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -66.87 -34.5 77.93 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.338 -0.986 . . . . 25.0 108.338 178.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -60.37 -29.1 68.71 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.464 0.649 . . . . 25.0 110.796 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -79.78 -39.79 30.14 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.025 -1.102 . . . . 25.0 108.025 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 58.4 mt -63.72 -49.95 79.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 114.831 -1.077 . . . . 25.0 110.584 -176.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 5.6 ptt? -60.73 -24.77 65.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.035 0.445 . . . . 25.0 111.99 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 50.8 m -78.6 -18.39 54.64 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.987 0.423 . . . . 25.0 111.453 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 63.8 mt -94.23 -49.56 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.718 0 CA-C-O 121.294 0.569 . . . . 25.0 110.29 -178.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 22.0 m -76.4 -11.94 14.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.724 -0.671 . . . . 25.0 112.731 -176.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -153.04 68.71 6.75 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.565 -0.743 . . . . 25.0 111.705 -177.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -74.43 -12.73 22.83 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 116.848 -1.635 . . . . 25.0 112.133 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.85 -5.49 59.23 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 120.97 0.414 . . . . 25.0 110.918 -177.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 57.76 45.1 19.32 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 121.929 0.871 . . . . 25.0 112.427 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 85.1 mt -70.13 -23.41 63.01 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.406 -1.27 . . . . 25.0 108.695 176.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 84.52 18.43 62.12 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.324 -0.853 . . . . 25.0 111.396 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 11.1 m -147.07 159.42 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 109.331 -0.618 . . . . 25.0 109.331 -175.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 16.8 t -131.71 135.23 59.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 123.265 0.626 . . . . 25.0 109.442 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 9.0 t -100.56 158.92 15.57 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.522 -0.547 . . . . 25.0 109.522 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -50.52 -45.92 56.94 Favored 'General case' 0 C--O 1.22 -0.447 0 CA-C-O 121.611 0.719 . . . . 25.0 111.421 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -22.11 62.12 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.037 -0.665 . . . . 25.0 110.34 -175.237 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -75.79 -40.09 55.76 Favored 'General case' 0 C--O 1.217 -0.653 0 C-N-CA 119.728 -0.789 . . . . 25.0 111.491 -177.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.439 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.0 OUTLIER -68.66 -31.87 71.31 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.114 -0.991 . . . . 25.0 110.012 177.43 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 18.1 mm -63.3 -27.92 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-O 121.428 0.633 . . . . 25.0 109.816 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -61.08 -42.51 98.63 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 121.523 -0.735 . . . . 25.0 110.817 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 815' ' ' PHE . . . . . 0.439 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.1 p90 . . . . . 0 C--N 1.327 -0.389 0 C-N-CA 119.345 -0.942 . . . . 25.0 112.267 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.593 0 N-CA-C 109.263 -0.643 . . . . 25.0 109.263 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.99 96.09 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.091 -0.337 . . . . 25.0 110.091 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 8.6 t -59.91 -47.52 85.42 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 121.011 -0.276 . . . . 25.0 110.929 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -62.14 -41.44 98.27 Favored 'General case' 0 C--O 1.202 -1.439 0 C-N-CA 119.962 -0.695 . . . . 25.0 109.368 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -57.33 -26.03 60.3 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.914 0.709 . . . . 25.0 112.914 -176.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 46.3 mt -74.82 -45.17 44.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.786 -0.45 . . . . 25.0 109.786 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.93 -26.03 27.49 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.757 0.789 . . . . 25.0 112.148 -176.738 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.647 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -85.07 -12.63 52.57 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.864 -0.607 . . . . 25.0 112.615 -176.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -56.54 -22.88 40.7 Favored Glycine 0 CA--C 1.526 0.729 0 O-C-N 123.817 0.698 . . . . 25.0 114.292 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.49 -20.94 64.63 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 120.807 0.337 . . . . 25.0 111.045 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -132.6 -156.94 0.78 Allowed 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 108.08 -1.081 . . . . 25.0 108.08 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -125.87 18.01 7.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.359 0.6 . . . . 25.0 109.643 174.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -160.15 177.57 10.55 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 106.94 -1.504 . . . . 25.0 106.94 -178.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 843' ' ' ILE . . . . . 0.647 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.3 OUTLIER -134.63 151.35 31.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 107.871 -1.159 . . . . 25.0 107.871 -177.552 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 67.3 p -98.59 159.96 14.6 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 119.822 -0.751 . . . . 25.0 109.822 173.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 71.7 mtm -57.85 -31.84 67.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.765 -1.107 . . . . 25.0 111.906 176.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -73.83 -40.73 63.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.526 0.679 . . . . 25.0 110.73 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -64.88 -47.37 78.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.969 -0.559 . . . . 25.0 111.27 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.9 pp -65.92 -26.4 67.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.399 -0.813 . . . . 25.0 111.077 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -74.85 -11.42 60.14 Favored 'General case' 0 C--O 1.221 -0.405 0 O-C-N 121.831 -0.543 . . . . 25.0 110.714 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.53 -26.89 61.92 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 109.115 -0.698 . . . . 25.0 109.115 176.511 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -86.19 -43.45 12.99 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.931 -0.577 . . . . 25.0 110.661 -176.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.69 79.66 71.43 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.619 -0.719 . . . . 25.0 109.322 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -59.7 -27.39 84.83 Favored 'Trans proline' 0 CA--C 1.551 1.327 0 N-CA-C 119.329 2.781 . . . . 25.0 119.329 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -75.71 -165.03 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 113.939 -3.574 . . . . 25.0 112.534 177.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -52.33 -16.2 0.8 Allowed 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.616 1.339 . . . . 25.0 114.616 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -54.07 -37.36 64.12 Favored 'General case' 0 C--O 1.214 -0.801 0 O-C-N 121.494 -0.754 . . . . 25.0 110.813 174.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.37 -38.67 92.07 Favored 'General case' 0 C--O 1.209 -1.056 0 N-CA-C 110.383 -0.228 . . . . 25.0 110.383 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -69.53 -37.03 76.94 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.325 0.583 . . . . 25.0 109.774 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -67.27 -32.78 74.02 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.306 -0.998 . . . . 25.0 108.306 176.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 60.3 m -72.79 -42.26 64.11 Favored 'General case' 0 C--O 1.207 -1.164 0 N-CA-C 109.878 -0.415 . . . . 25.0 109.878 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 20.0 mt -62.07 -41.82 92.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.588 -0.893 . . . . 25.0 108.588 178.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -62.75 -27.19 69.11 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 112.159 0.429 . . . . 25.0 112.159 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -99.22 -18.23 17.73 Favored 'General case' 0 C--O 1.209 -1.05 0 N-CA-C 112.877 0.695 . . . . 25.0 112.877 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 9.3 ttm -75.28 166.3 23.84 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 118.498 0.59 . . . . 25.0 111.264 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -96.65 145.71 30.05 Favored Pre-proline 0 C--N 1.321 -0.658 0 N-CA-C 107.557 -1.275 . . . . 25.0 107.557 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -75.7 148.94 33.26 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 120.655 0.904 . . . . 25.0 112.853 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -112.55 123.08 49.49 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 113.782 1.03 . . . . 25.0 113.782 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 70.5 p -126.1 43.75 3.01 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 109.303 -0.628 . . . . 25.0 109.303 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -87.53 -169.82 45.87 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 121.347 -0.454 . . . . 25.0 113.497 -177.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -71.61 -21.96 24.93 Favored 'Trans proline' 0 C--N 1.348 0.513 0 CA-C-N 118.757 1.279 . . . . 25.0 114.876 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -103.73 21.6 15.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 122.08 0.943 . . . . 25.0 109.075 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 25.2 p -73.5 149.94 41.93 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 122.606 1.193 . . . . 25.0 113.566 -172.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 17.0 m -132.39 161.92 60.17 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 103.319 -2.845 . . . . 25.0 103.319 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -57.28 -23.0 51.97 Favored 'Trans proline' 0 C--N 1.35 0.611 0 N-CA-C 115.945 1.479 . . . . 25.0 115.945 -177.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -109.03 33.95 5.84 Favored Glycine 0 C--O 1.222 -0.629 0 C-N-CA 121.532 -0.366 . . . . 25.0 113.618 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -91.31 138.49 31.55 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 113.135 0.791 . . . . 25.0 113.135 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 66.1 mt -135.88 138.6 42.62 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.434 -0.951 . . . . 25.0 108.434 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -89.05 101.56 14.21 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 106.6 -1.629 . . . . 25.0 106.6 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -71.56 -36.03 70.81 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 114.637 -1.165 . . . . 25.0 109.359 -177.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.46 -26.72 67.33 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.219 0.533 . . . . 25.0 110.096 -177.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 4.6 t -84.8 -16.0 42.95 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 -178.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -57.68 -38.38 75.05 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.838 0.351 . . . . 25.0 111.271 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.13 -18.68 3.97 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 114.434 1.272 . . . . 25.0 114.434 174.455 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 37.0 p -109.42 -14.17 14.47 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 114.605 1.335 . . . . 25.0 114.605 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -158.49 150.42 21.42 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.732 1.012 . . . . 25.0 113.732 -176.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 C--N 1.326 -0.445 0 N-CA-C 105.047 -2.205 . . . . 25.0 105.047 177.863 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 . . . . . 0 C--O 1.218 -0.566 0 CA-C-O 121.39 0.614 . . . . 25.0 111.35 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -66.52 -55.89 13.43 Favored 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 108.718 -0.845 . . . . 25.0 108.718 177.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 21.4 ptp -59.66 -23.95 63.49 Favored 'General case' 0 C--O 1.21 -1.015 0 C-N-CA 119.548 -0.861 . . . . 25.0 111.318 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.91 -55.69 23.81 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.939 -0.763 . . . . 25.0 108.939 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.01 -34.73 75.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.888 0.313 . . . . 25.0 110.694 -178.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -59.3 -50.23 74.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.053 -0.405 . . . . 25.0 110.666 175.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -66.71 -41.74 87.48 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 109.456 -0.572 . . . . 25.0 109.456 -178.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.87 -39.63 90.9 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 112.375 0.509 . . . . 25.0 112.375 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 48.8 m -66.95 -43.53 82.9 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 118.4 0.546 . . . . 25.0 109.958 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -41.88 97.4 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 108.569 -0.9 . . . . 25.0 108.569 177.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.0 -33.91 76.6 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.946 0.721 . . . . 25.0 112.946 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -69.4 -37.06 77.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.429 0.633 . . . . 25.0 110.266 -178.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -84.81 -35.92 22.0 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 108.472 -0.936 . . . . 25.0 108.472 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -94.33 70.84 3.77 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 122.616 1.198 . . . . 25.0 109.453 -178.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 20.8 mtm105 -80.69 1.05 31.73 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.302 -1.317 . . . . 25.0 110.361 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -94.89 -10.86 29.94 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.201 -1.407 . . . . 25.0 107.201 177.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 45.4 m80 51.43 39.04 23.53 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.745 1.218 . . . . 25.0 112.353 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 15.7 m -71.99 -23.12 61.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.568 -0.742 . . . . 25.0 109.745 177.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 90.93 2.05 72.27 Favored Glycine 0 C--O 1.239 0.428 0 N-CA-C 109.136 -1.586 . . . . 25.0 109.136 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -150.65 156.18 40.83 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 123.702 0.801 . . . . 25.0 108.876 -175.497 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 766' ' ' LEU . . . . . 0.459 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 22.6 mt -137.36 174.55 10.48 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 107.4 -1.333 . . . . 25.0 107.4 176.38 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -84.5 -178.66 51.38 Favored Glycine 0 C--O 1.241 0.585 0 N-CA-C 111.331 -0.707 . . . . 25.0 111.331 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.4 -27.79 22.97 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 121.623 1.548 . . . . 25.0 114.096 -175.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -85.83 -37.74 18.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.052 0.453 . . . . 25.0 110.007 -178.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -66.78 -50.76 61.65 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 116.01 -0.541 . . . . 25.0 111.077 -178.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 771' ' ' PHE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -62.3 -32.53 73.28 Favored 'General case' 0 C--O 1.213 -0.852 0 C-N-CA 120.222 -0.591 . . . . 25.0 112.096 173.769 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -62.67 -44.62 95.8 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 118.682 0.674 . . . . 25.0 110.097 177.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -73.63 -24.88 60.08 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.073 0.463 . . . . 25.0 110.322 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 45.4 t -62.93 -35.3 79.63 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.537 -0.542 . . . . 25.0 109.537 178.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 14.5 mt -66.75 -31.22 71.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.691 -0.686 . . . . 25.0 111.964 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 66.3 mt -59.42 -34.61 54.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 O-C-N 121.645 -0.659 . . . . 25.0 109.928 -177.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.41 -21.66 64.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.986 -0.552 . . . . 25.0 112.118 178.301 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 14.9 mt -94.16 -16.36 23.79 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 123.492 0.495 . . . . 25.0 110.906 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 117.6 30.65 1.8 Allowed Glycine 0 C--O 1.218 -0.845 0 CA-C-N 116.052 -0.522 . . . . 25.0 114.353 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -99.36 131.83 45.11 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 109.461 -0.57 . . . . 25.0 109.461 -177.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -83.97 46.9 1.24 Allowed 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 122.341 1.067 . . . . 25.0 110.588 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 29.6 mt . . . . . 0 C--O 1.221 -0.428 0 N-CA-C 107.498 -1.297 . . . . 25.0 107.498 -175.375 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.207 -1.554 0 N-CA-C 109.023 -1.631 . . . . 25.0 109.023 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.51 -35.77 78.63 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 121.636 -0.92 . . . . 25.0 111.831 177.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.21 -38.56 91.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.742 0.306 . . . . 25.0 111.263 -179.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -87.13 -28.44 22.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.242 0.544 . . . . 25.0 110.729 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -31.61 72.47 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.402 -0.962 . . . . 25.0 108.402 177.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -60.33 -28.7 68.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.654 0.74 . . . . 25.0 110.753 177.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -77.6 -42.28 35.62 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 108.312 -0.995 . . . . 25.0 108.312 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.422 HG23 ' CE2' ' A' ' 815' ' ' PHE . 68.3 mt -64.15 -49.86 79.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 114.079 -1.419 . . . . 25.0 110.49 -174.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 16.3 ptt? -61.33 -25.15 66.95 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 116.579 -0.282 . . . . 25.0 111.616 -178.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 49.9 m -76.83 -19.61 57.33 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 116.561 -0.29 . . . . 25.0 111.539 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 77.8 mt -92.45 -49.34 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-O 121.767 0.794 . . . . 25.0 109.718 -178.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 18.8 m -76.18 -13.21 14.73 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 CA-C-N 115.175 -0.92 . . . . 25.0 112.888 -176.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -154.14 68.15 5.91 Favored Pre-proline 0 C--O 1.25 1.094 0 CA-C-N 115.306 -0.861 . . . . 25.0 112.125 -175.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -72.98 -12.89 26.24 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 117.624 -1.117 . . . . 25.0 111.75 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.17 -5.3 59.34 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 110.475 -0.194 . . . . 25.0 110.475 -178.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 57.92 42.16 23.43 Favored 'General case' 0 C--O 1.219 -0.509 0 O-C-N 124.597 1.185 . . . . 25.0 111.648 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 83.5 mt -69.17 -25.94 64.6 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.808 -1.087 . . . . 25.0 109.806 177.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 84.31 22.08 55.2 Favored Glycine 0 C--O 1.224 -0.514 0 N-CA-C 111.135 -0.786 . . . . 25.0 111.135 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 5.6 m -146.0 155.42 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 109.145 -0.687 . . . . 25.0 109.145 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 14.0 t -132.07 133.25 60.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.41 -0.814 . . . . 25.0 110.084 -177.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.38 160.66 14.2 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 109.027 -0.731 . . . . 25.0 109.027 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -52.26 -42.95 64.09 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.41 0.624 . . . . 25.0 110.862 177.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -23.23 60.3 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.722 -0.611 . . . . 25.0 109.565 -174.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -73.96 -42.47 60.47 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 119.602 -0.839 . . . . 25.0 111.549 -176.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.436 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.4 p90 -68.27 -30.31 69.3 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 119.198 -1.001 . . . . 25.0 109.919 179.009 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 16.3 mm -62.15 -27.22 42.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.393 0.616 . . . . 25.0 110.767 177.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -62.87 -41.11 99.26 Favored 'General case' 0 C--N 1.319 -0.74 0 O-C-N 121.749 -0.595 . . . . 25.0 110.768 -178.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 815' ' ' PHE . . . . . 0.436 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 5.8 p90 . . . . . 0 CA--C 1.515 -0.387 0 C-N-CA 119.352 -0.939 . . . . 25.0 112.062 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 2.6 ttm . . . . . 0 C--O 1.238 0.45 0 CA-C-O 121.336 0.588 . . . . 25.0 110.306 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -61.96 -37.31 84.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.088 -0.505 . . . . 25.0 109.737 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 27.0 m -63.05 -43.39 98.78 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.896 0.379 . . . . 25.0 110.079 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -66.6 -35.48 80.31 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 121.449 -0.782 . . . . 25.0 110.797 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -61.12 -27.73 68.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.304 -0.407 . . . . 25.0 111.469 -177.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 53.0 mt -72.84 -46.03 54.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.139 -0.689 . . . . 25.0 109.139 -178.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.8 -23.56 31.4 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.698 -0.801 . . . . 25.0 111.239 -173.227 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.784 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -107.66 16.51 23.62 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 112.531 0.567 . . . . 25.0 112.531 -178.34 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -65.06 -25.04 70.69 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 108.668 -1.773 . . . . 25.0 108.668 173.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -69.37 -19.69 63.84 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.017 0.377 . . . . 25.0 112.017 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -131.47 -170.04 2.3 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-O 121.334 0.587 . . . . 25.0 109.677 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -111.09 14.52 21.88 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.956 -0.465 . . . . 25.0 110.857 174.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -160.13 178.19 9.92 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 115.976 -0.556 . . . . 25.0 109.563 -177.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 843' ' ' ILE . . . . . 0.784 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.4 OUTLIER -133.68 151.66 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 N-CA-C 108.921 -0.77 . . . . 25.0 108.921 -179.039 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 58.1 p -99.66 159.09 15.31 Favored 'General case' 0 C--N 1.314 -0.976 0 O-C-N 121.416 -0.803 . . . . 25.0 109.231 174.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 71.3 mtm -62.82 -29.95 71.11 Favored 'General case' 0 C--O 1.211 -0.968 0 CA-C-N 115.043 -0.981 . . . . 25.0 109.66 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -71.07 -41.97 70.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.892 0.377 . . . . 25.0 110.742 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -65.98 -50.84 62.9 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 122.018 -0.426 . . . . 25.0 111.024 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.6 pp -63.81 -22.02 66.71 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.155 -0.618 . . . . 25.0 112.444 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 67.4 mtt-85 -74.42 -15.14 60.92 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.307 -0.871 . . . . 25.0 112.187 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -78.24 -28.08 47.74 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 108.246 -1.02 . . . . 25.0 108.246 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -76.87 -46.4 24.71 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.453 -1.249 . . . . 25.0 110.617 -175.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.45 80.6 72.18 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 114.59 -1.186 . . . . 25.0 108.875 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -61.57 -23.59 76.73 Favored 'Trans proline' 0 CA--C 1.55 1.282 0 N-CA-C 119.196 2.729 . . . . 25.0 119.196 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -77.07 -167.29 0.45 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 C-N-CA 113.4 -3.933 . . . . 25.0 111.826 174.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -50.25 -17.12 0.4 Allowed 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 115.764 1.765 . . . . 25.0 115.764 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -54.54 -39.19 67.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.429 -0.794 . . . . 25.0 111.299 177.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -65.2 -38.05 89.23 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-O 120.803 0.335 . . . . 25.0 110.585 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -66.61 -39.58 88.42 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.669 0.747 . . . . 25.0 109.557 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -67.64 -31.29 71.21 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.492 -0.776 . . . . 25.0 109.467 177.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 56.0 m -71.2 -39.19 71.95 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 109.97 -0.382 . . . . 25.0 109.97 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 20.8 mt -63.63 -37.7 80.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.357 0.599 . . . . 25.0 110.459 178.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -69.08 -21.32 64.07 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.563 0.697 . . . . 25.0 110.612 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.35 -32.3 11.94 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 112.944 0.72 . . . . 25.0 112.944 -177.053 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 4.9 ttm -68.18 166.69 15.72 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-O 121.366 0.603 . . . . 25.0 111.782 -176.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -97.71 143.91 27.05 Favored Pre-proline 0 C--N 1.314 -0.947 0 N-CA-C 107.347 -1.353 . . . . 25.0 107.347 -178.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -73.76 148.01 40.68 Favored 'Trans proline' 0 C--O 1.232 0.183 0 CA-C-O 121.866 0.694 . . . . 25.0 112.028 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -108.53 131.7 54.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.416 -0.811 . . . . 25.0 111.535 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 5.2 t -136.69 41.27 2.54 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 122.128 0.966 . . . . 25.0 108.829 -178.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -90.94 -167.92 41.68 Favored Glycine 0 N--CA 1.461 0.311 0 CA-C-N 115.646 -0.706 . . . . 25.0 113.886 -177.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -68.6 -28.2 31.72 Favored 'Trans proline' 0 C--O 1.21 -0.899 0 CA-C-N 118.53 1.165 . . . . 25.0 113.936 -177.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -96.7 19.63 12.15 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 123.115 0.566 . . . . 25.0 109.55 -175.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 81.8 p -72.96 149.09 43.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.596 1.189 . . . . 25.0 113.837 -171.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 15.7 m -137.79 162.65 53.21 Favored Pre-proline 0 C--N 1.32 -0.703 0 N-CA-C 105.442 -2.058 . . . . 25.0 105.442 -178.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -60.44 0.98 0.58 Allowed 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 122.268 1.979 . . . . 25.0 116.975 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -137.03 35.49 2.08 Favored Glycine 0 C--O 1.223 -0.577 0 N-CA-C 111.506 -0.637 . . . . 25.0 111.506 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -93.99 138.08 32.49 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.335 0.588 . . . . 25.0 112.346 -177.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 87.1 mt -137.94 139.91 40.01 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 107.513 -1.291 . . . . 25.0 107.513 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -91.12 103.93 16.56 Favored 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 107.326 -1.361 . . . . 25.0 107.326 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -73.86 -31.58 63.23 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 115.438 -0.801 . . . . 25.0 110.076 -177.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 3.8 ttm -68.74 -28.8 67.14 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.362 1.077 . . . . 25.0 109.311 -178.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.3 t -82.97 -20.71 34.68 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.776 -1.102 . . . . 25.0 112.874 -176.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -56.52 -36.8 69.61 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.334 0.494 . . . . 25.0 112.334 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 32.9 t -55.09 -18.3 5.26 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 114.146 1.165 . . . . 25.0 114.146 174.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 30.8 p -100.98 -25.44 14.07 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 114.013 1.116 . . . . 25.0 114.013 -177.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -163.22 160.14 23.65 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.041 0.448 . . . . 25.0 112.093 -177.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 1.7 pt? . . . . . 0 C--N 1.327 -0.378 0 N-CA-C 104.608 -2.368 . . . . 25.0 104.608 176.117 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 C--O 1.221 -0.413 0 CA-C-O 119.508 -0.282 . . . . 25.0 110.688 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.79 -58.05 5.84 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 118.782 0.719 . . . . 25.0 110.391 176.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 21.6 ptp -57.89 -26.82 62.67 Favored 'General case' 0 C--O 1.218 -0.596 0 C-N-CA 119.965 -0.694 . . . . 25.0 111.251 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -53.78 49.88 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.751 -0.659 . . . . 25.0 109.914 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -73.79 -30.07 62.54 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 122.414 -0.179 . . . . 25.0 110.676 -176.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -61.31 -49.62 76.28 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.149 -0.685 . . . . 25.0 109.149 174.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 3.6 mtp-105 -65.12 -42.69 93.67 Favored 'General case' 0 C--O 1.217 -0.63 0 N-CA-C 109.743 -0.466 . . . . 25.0 109.743 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -67.7 -38.69 84.0 Favored 'General case' 0 C--O 1.213 -0.824 0 N-CA-C 113.045 0.757 . . . . 25.0 113.045 -177.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 21.6 t -70.44 -42.61 71.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 119.107 0.867 . . . . 25.0 109.814 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -41.48 91.19 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 107.752 -1.203 . . . . 25.0 107.752 177.177 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.03 -31.49 69.16 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.747 0.647 . . . . 25.0 112.747 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -70.35 -35.84 73.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.52 -0.738 . . . . 25.0 110.411 -178.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -83.03 -37.79 23.45 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 108.583 -0.895 . . . . 25.0 108.583 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 759' ' ' ASP . . . . . 0.445 ' HA ' HD21 ' A' ' 766' ' ' LEU . 55.1 t0 -91.42 70.69 6.0 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 122.584 1.183 . . . . 25.0 109.022 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 69.9 mtm-85 -75.38 -5.43 44.85 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.475 -1.239 . . . . 25.0 110.644 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -95.54 -1.17 51.1 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.087 -1.079 . . . . 25.0 108.087 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 23.6 p80 42.34 36.96 0.82 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.58 1.552 . . . . 25.0 114.723 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 30.6 t -70.45 -25.06 63.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.722 0.772 . . . . 25.0 109.981 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 91.8 1.53 70.58 Favored Glycine 0 C--O 1.237 0.294 0 N-CA-C 109.028 -1.629 . . . . 25.0 109.028 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -148.3 153.84 39.2 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 123.372 0.669 . . . . 25.0 109.694 -176.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 766' ' ' LEU . . . . . 0.48 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 19.8 mt -139.21 172.94 12.1 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 108.231 -1.026 . . . . 25.0 108.231 177.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.58 173.95 54.85 Favored Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 110.207 -1.157 . . . . 25.0 110.207 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -67.61 -32.07 31.74 Favored 'Trans proline' 0 C--N 1.347 0.486 0 CA-C-N 117.482 0.641 . . . . 25.0 113.099 -176.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -79.1 -36.51 40.59 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 121.9 -0.5 . . . . 25.0 110.354 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -66.77 -52.14 47.65 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.241 -0.436 . . . . 25.0 110.422 -178.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 771' ' ' PHE . . . . . 0.48 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -60.72 -31.04 70.35 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 113.412 0.893 . . . . 25.0 113.412 173.865 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -64.5 -45.48 87.07 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 120.291 -0.563 . . . . 25.0 109.656 176.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.37 -25.64 62.46 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 120.865 0.364 . . . . 25.0 111.468 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 41.2 t -60.7 -37.23 80.98 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 109.225 -0.658 . . . . 25.0 109.225 177.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 13.0 mt -67.15 -32.99 74.48 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 115.728 -0.669 . . . . 25.0 111.777 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.1 mt -58.17 -33.99 48.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 O-C-N 121.781 -0.575 . . . . 25.0 110.675 -176.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 90.9 p -62.19 -21.2 64.91 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.177 0.436 . . . . 25.0 112.177 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 13.8 mt -93.71 -14.79 25.92 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-O 121.168 0.509 . . . . 25.0 111.503 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 115.61 30.29 2.24 Favored Glycine 0 C--O 1.22 -0.732 0 N-CA-C 114.468 0.547 . . . . 25.0 114.468 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -97.0 130.69 44.29 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 109.437 -0.579 . . . . 25.0 109.437 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -84.93 49.86 1.82 Allowed 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 122.268 1.032 . . . . 25.0 109.559 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 44.2 mt . . . . . 0 C--N 1.328 -0.342 0 N-CA-C 107.515 -1.291 . . . . 25.0 107.515 -175.108 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.962 0 N-CA-C 110.862 -0.895 . . . . 25.0 110.862 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -61.29 -38.14 85.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.51 -0.994 . . . . 25.0 111.54 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -62.28 -36.78 83.13 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 116.627 -0.26 . . . . 25.0 110.309 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -89.41 -24.08 22.0 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 108.98 -0.748 . . . . 25.0 108.98 -178.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -72.13 -32.89 67.35 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 108.572 -0.899 . . . . 25.0 108.572 177.541 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -60.5 -30.79 69.94 Favored 'General case' 0 CA--C 1.561 1.394 0 O-C-N 123.211 0.319 . . . . 25.0 111.473 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.49 -40.2 30.3 Favored 'General case' 0 C--O 1.208 -1.096 0 N-CA-C 106.396 -1.705 . . . . 25.0 106.396 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.406 HG23 ' CE2' ' A' ' 815' ' ' PHE . 47.3 mt -59.61 -49.78 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.733 0 CA-C-N 115.269 -0.878 . . . . 25.0 109.568 -175.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 4.6 ptm -63.59 -27.36 69.19 Favored 'General case' 0 C--O 1.216 -0.667 0 C-N-CA 120.825 -0.35 . . . . 25.0 111.118 -177.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 42.1 m -75.97 -17.38 59.74 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 116.707 -0.224 . . . . 25.0 111.19 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 73.1 mt -96.23 -46.32 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-O 121.488 0.661 . . . . 25.0 110.346 -177.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.417 ' HB ' HG13 ' A' ' 807' ' ' VAL . 27.5 m -75.78 -15.81 15.45 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 CA-C-N 115.742 -0.663 . . . . 25.0 112.146 -177.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -150.63 65.2 6.91 Favored Pre-proline 0 CA--C 1.55 0.968 0 CA-C-O 121.817 0.817 . . . . 25.0 113.161 -176.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -71.91 -6.82 19.89 Favored 'Trans proline' 0 CA--C 1.534 0.494 0 C-N-CA 118.021 -0.852 . . . . 25.0 111.964 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.22 -11.42 43.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 25.0 110.844 -178.468 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? 57.76 50.01 11.33 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 124.295 0.997 . . . . 25.0 110.877 -176.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 86.8 mt -72.52 -26.24 61.69 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.227 -1.397 . . . . 25.0 107.227 174.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 86.69 17.83 59.36 Favored Glycine 0 C--O 1.223 -0.559 0 N-CA-C 110.322 -1.111 . . . . 25.0 110.322 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 11.1 m -148.91 156.98 7.36 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 CA-C-O 121.484 0.659 . . . . 25.0 109.674 -175.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 807' ' ' VAL . . . . . 0.417 HG13 ' HB ' ' A' ' 799' ' ' VAL . 16.7 t -129.64 132.38 66.19 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.528 0 CA-C-N 115.528 -0.76 . . . . 25.0 110.106 -177.241 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -97.42 158.57 15.4 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -50.69 -44.09 57.77 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-O 121.203 0.525 . . . . 25.0 110.648 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -24.1 61.61 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.354 -0.538 . . . . 25.0 109.93 -174.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -74.4 -41.39 61.02 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.145 -0.622 . . . . 25.0 111.666 -177.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.411 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.0 OUTLIER -68.92 -28.87 67.06 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 118.845 -1.142 . . . . 25.0 109.359 178.348 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 13.1 mm -64.76 -27.18 41.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 O-C-N 121.703 -0.623 . . . . 25.0 109.953 177.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -63.96 -46.71 83.46 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.719 -0.792 . . . . 25.0 110.071 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 815' ' ' PHE . . . . . 0.411 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.4 p90 . . . . . 0 CA--C 1.501 -0.939 0 C-N-CA 118.899 -1.12 . . . . 25.0 109.92 -178.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.517 -0.317 0 CA-C-O 121.479 0.657 . . . . 25.0 110.776 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -61.31 -36.87 81.3 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.202 -0.453 . . . . 25.0 110.847 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 60.1 p -64.04 -42.3 97.1 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.178 -0.609 . . . . 25.0 111.476 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -68.82 -37.44 79.2 Favored 'General case' 0 C--O 1.202 -1.412 0 C-N-CA 119.653 -0.819 . . . . 25.0 108.899 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -57.58 -25.82 60.55 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 112.566 0.58 . . . . 25.0 112.566 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 74.1 mt -73.66 -46.67 47.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.8 -26.11 24.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 122.19 0.995 . . . . 25.0 112.076 -174.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.466 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -83.64 -13.51 54.08 Favored 'General case' 0 C--O 1.207 -1.182 0 O-C-N 121.796 -0.565 . . . . 25.0 112.235 -178.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -58.31 -17.89 33.6 Favored Glycine 0 CA--C 1.523 0.579 0 O-C-N 123.621 0.576 . . . . 25.0 114.044 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -71.57 -18.44 62.24 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 117.024 0.412 . . . . 25.0 110.318 176.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -137.21 -157.0 0.74 Allowed 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 108.698 -0.853 . . . . 25.0 108.698 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -119.63 12.05 12.17 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.704 -0.623 . . . . 25.0 110.289 174.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -156.28 176.85 12.14 Favored 'General case' 0 C--O 1.245 0.864 0 N-CA-C 109.353 -0.61 . . . . 25.0 109.353 -176.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 843' ' ' ILE . . . . . 0.466 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.6 OUTLIER -129.43 147.08 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.776 0 N-CA-C 109.166 -0.679 . . . . 25.0 109.166 -177.458 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 65.4 p -100.13 159.91 14.74 Favored 'General case' 0 C--N 1.31 -1.141 0 O-C-N 120.973 -1.079 . . . . 25.0 109.682 172.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 73.6 mtm -60.18 -35.22 74.87 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-N 114.979 -1.01 . . . . 25.0 108.892 177.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -66.74 -43.04 85.24 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-O 121.831 0.824 . . . . 25.0 110.999 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -66.89 -47.34 72.13 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 112.689 0.626 . . . . 25.0 112.689 -178.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.7 pp -68.44 -25.0 64.8 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 120.344 -0.542 . . . . 25.0 111.193 -178.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -68.23 -14.23 62.83 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 122.004 -0.435 . . . . 25.0 111.413 177.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -78.9 -29.19 44.17 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.399 -0.593 . . . . 25.0 109.399 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -80.28 -42.53 22.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.125 0.964 . . . . 25.0 110.211 -175.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.85 81.43 70.32 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.263 -0.881 . . . . 25.0 109.04 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -63.43 -23.29 71.36 Favored 'Trans proline' 0 CA--C 1.549 1.249 0 N-CA-C 119.317 2.776 . . . . 25.0 119.317 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -78.43 -167.79 0.54 Allowed 'Trans proline' 0 C--N 1.367 1.504 0 C-N-CA 113.582 -3.812 . . . . 25.0 111.52 175.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -53.46 -12.78 0.49 Allowed 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.903 1.446 . . . . 25.0 114.903 -178.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -52.81 -38.78 61.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 118.239 0.472 . . . . 25.0 110.13 174.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -66.1 -41.72 90.24 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 121.484 -0.086 . . . . 25.0 111.055 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -64.89 -41.91 95.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.721 0.772 . . . . 25.0 110.023 -177.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -66.45 -30.4 70.75 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.62 -0.718 . . . . 25.0 109.324 177.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 37.2 m -72.06 -43.65 64.57 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 110.386 -0.228 . . . . 25.0 110.386 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 21.8 mt -62.89 -35.58 71.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 108.77 -0.826 . . . . 25.0 108.77 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -67.48 -8.03 30.3 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.516 0.932 . . . . 25.0 113.516 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -121.31 -32.84 3.79 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.379 0.881 . . . . 25.0 113.379 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 2.9 ttm -61.75 140.45 58.22 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-O 120.912 0.387 . . . . 25.0 111.836 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -67.92 142.31 95.34 Favored Pre-proline 0 C--N 1.318 -0.795 0 CA-C-N 115.888 -0.596 . . . . 25.0 110.042 -174.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -73.58 145.25 37.11 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 CA-C-O 121.903 0.71 . . . . 25.0 111.972 177.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -102.84 124.55 48.58 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.186 -0.915 . . . . 25.0 113.283 -178.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 12.4 m -130.52 73.33 1.53 Allowed 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 107.006 -1.479 . . . . 25.0 107.006 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -127.53 -170.53 12.86 Favored Glycine 0 C--O 1.223 -0.549 0 CA-C-N 115.402 -0.817 . . . . 25.0 113.482 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -68.99 -28.79 28.56 Favored 'Trans proline' 0 C--N 1.349 0.555 0 N-CA-C 116.256 1.598 . . . . 25.0 116.256 -176.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -97.71 19.89 12.87 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.028 0.442 . . . . 25.0 109.819 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 59.9 p -70.2 150.65 46.24 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 115.941 1.83 . . . . 25.0 115.941 -171.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 7.8 m -135.59 164.5 43.08 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 103.921 -2.622 . . . . 25.0 103.921 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.5 3.03 2.88 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 N-CA-C 115.789 1.419 . . . . 25.0 115.789 -178.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -128.74 35.92 2.54 Favored Glycine 0 CA--C 1.502 -0.732 0 N-CA-C 110.319 -1.112 . . . . 25.0 110.319 176.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -95.54 138.66 32.9 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.317 0.579 . . . . 25.0 112.268 -177.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 51.3 mt -134.64 141.38 46.57 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 107.538 -1.282 . . . . 25.0 107.538 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -92.27 102.1 14.6 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.114 -1.069 . . . . 25.0 108.114 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -73.1 -36.64 66.82 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-N 115.269 -0.878 . . . . 25.0 108.851 -177.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 33.2 ttp -64.86 -22.78 67.06 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.683 0.754 . . . . 25.0 110.673 -177.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 6.3 t -88.25 -27.3 21.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.171 -0.922 . . . . 25.0 112.424 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -54.03 -37.95 64.64 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.83 0.678 . . . . 25.0 112.83 -177.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -25.52 31.35 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 114.545 1.313 . . . . 25.0 114.545 178.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 12.9 t -114.69 -3.88 12.81 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.168 0.803 . . . . 25.0 113.168 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -154.01 134.7 13.64 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.378 0.51 . . . . 25.0 112.378 -177.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.7 pt? . . . . . 0 C--N 1.325 -0.473 0 N-CA-C 106.71 -1.589 . . . . 25.0 106.71 176.839 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 . . . . . 0 C--O 1.215 -0.743 0 N-CA-C 110.046 -0.353 . . . . 25.0 110.046 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.53 -55.44 6.32 Favored 'General case' 0 CA--C 1.494 -1.207 0 O-C-N 121.724 -0.61 . . . . 25.0 109.99 178.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 23.6 ptp -58.98 -25.54 63.67 Favored 'General case' 0 C--O 1.214 -0.815 0 C-N-CA 119.615 -0.834 . . . . 25.0 110.063 178.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.03 -55.83 25.22 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -71.75 -31.13 66.33 Favored 'General case' 0 C--O 1.217 -0.631 0 C-N-CA 120.878 -0.329 . . . . 25.0 110.55 -177.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.24 -45.57 93.99 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.298 0.571 . . . . 25.0 109.734 175.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 7.6 mtp-105 -71.65 -39.93 70.02 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 116.398 -0.364 . . . . 25.0 110.212 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.67 -38.17 76.98 Favored 'General case' 0 C--O 1.209 -1.072 0 N-CA-C 112.702 0.63 . . . . 25.0 112.702 -177.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 50.9 p -70.37 -41.59 72.89 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.474 0.579 . . . . 25.0 109.594 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -43.63 92.46 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 107.908 -1.145 . . . . 25.0 107.908 175.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.77 -30.37 68.95 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.605 0.965 . . . . 25.0 113.605 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -71.34 -33.91 70.03 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 122.163 -0.335 . . . . 25.0 110.584 -178.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -89.0 -36.47 15.81 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 108.172 -1.047 . . . . 25.0 108.172 178.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -91.47 68.87 5.81 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-O 122.404 1.097 . . . . 25.0 109.269 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -79.35 -3.79 47.9 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.775 -1.102 . . . . 25.0 110.067 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -91.69 -11.0 38.18 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.358 -0.979 . . . . 25.0 108.358 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 42.4 m80 52.25 39.64 27.44 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.783 1.233 . . . . 25.0 112.968 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 2.5 m -71.48 -18.98 62.27 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.728 -0.841 . . . . 25.0 108.728 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 83.27 5.0 89.31 Favored Glycine 0 CA--C 1.508 -0.358 0 N-CA-C 109.224 -1.55 . . . . 25.0 109.224 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -151.17 158.43 43.96 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.775 -1.195 . . . . 25.0 107.775 -176.568 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 766' ' ' LEU . . . . . 0.478 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 13.9 mt -140.47 171.49 14.06 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.37 -0.974 . . . . 25.0 108.37 177.172 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.02 173.76 55.34 Favored Glycine 0 N--CA 1.453 -0.2 0 N-CA-C 111.301 -0.72 . . . . 25.0 111.301 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -66.3 -31.53 43.51 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 121.044 1.163 . . . . 25.0 113.308 -177.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -84.15 -34.39 24.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.155 -0.341 . . . . 25.0 110.389 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -63.73 -54.64 32.17 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.734 0.302 . . . . 25.0 110.352 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 771' ' ' PHE . . . . . 0.478 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -61.68 -29.5 70.12 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 113.182 0.808 . . . . 25.0 113.182 175.264 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -66.04 -45.33 81.81 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.785 -0.572 . . . . 25.0 109.834 177.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.53 -24.89 62.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.288 0.566 . . . . 25.0 110.177 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 45.6 t -62.44 -37.44 85.87 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 14.5 mt -65.58 -31.36 72.35 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 115.727 -0.67 . . . . 25.0 112.15 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 67.8 mt -59.05 -34.39 53.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 O-C-N 121.527 -0.733 . . . . 25.0 109.407 -177.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 1.5 m -61.52 -20.0 62.73 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.569 0.581 . . . . 25.0 112.569 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 16.6 mt -95.92 -16.72 21.57 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 115.889 -0.596 . . . . 25.0 111.306 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 115.45 36.99 1.13 Allowed Glycine 0 C--O 1.221 -0.717 0 CA-C-N 115.843 -0.617 . . . . 25.0 114.305 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -105.59 131.1 53.39 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.431 -0.581 . . . . 25.0 109.431 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -83.91 46.37 1.18 Allowed 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.445 0.641 . . . . 25.0 110.445 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 47.1 mt . . . . . 0 C--N 1.327 -0.407 0 N-CA-C 106.954 -1.499 . . . . 25.0 106.954 -175.866 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.21 -1.355 0 N-CA-C 110.285 -1.126 . . . . 25.0 110.285 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.56 -36.47 78.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 121.685 -0.891 . . . . 25.0 111.325 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -62.39 -39.33 92.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.702 -0.227 . . . . 25.0 111.119 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -86.64 -22.35 26.21 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-O 121.572 0.701 . . . . 25.0 110.594 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.8 -34.21 66.76 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 108.934 -0.765 . . . . 25.0 108.934 177.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -58.83 -33.05 69.97 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.318 0.58 . . . . 25.0 112.292 178.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -83.48 -29.03 28.32 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 119.836 -0.746 . . . . 25.0 109.34 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 44.1 mt -69.08 -46.41 78.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 C-N-CA 122.244 0.218 . . . . 25.0 110.745 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 8.8 ptt? -62.35 -23.52 66.83 Favored 'General case' 0 C--O 1.216 -0.694 0 C-N-CA 120.615 -0.434 . . . . 25.0 112.044 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 52.5 m -75.85 -18.1 59.57 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 111.668 0.247 . . . . 25.0 111.668 178.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 82.0 mt -94.4 -48.71 12.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.619 0.723 . . . . 25.0 110.616 -177.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.449 ' HB ' HG13 ' A' ' 807' ' ' VAL . 22.7 m -74.83 -14.44 15.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 N-CA-C 113.107 0.78 . . . . 25.0 113.107 -176.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -153.18 68.42 6.58 Favored Pre-proline 0 CA--C 1.543 0.677 0 CA-C-N 115.17 -0.923 . . . . 25.0 110.638 -175.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -71.15 -14.02 31.48 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 117.914 -0.924 . . . . 25.0 111.867 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.92 -9.31 58.22 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 116.207 -0.451 . . . . 25.0 110.472 -178.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 25.7 mmt85 56.91 48.24 16.26 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.373 1.045 . . . . 25.0 110.718 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 87.3 mt -71.52 -25.72 62.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 113.81 -1.541 . . . . 25.0 109.036 175.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 86.9 19.98 54.7 Favored Glycine 0 C--N 1.32 -0.324 0 N-CA-C 110.39 -1.084 . . . . 25.0 110.39 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 7.0 m -145.93 153.77 13.33 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.429 0 CA-C-O 121.383 0.611 . . . . 25.0 109.357 -177.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 807' ' ' VAL . . . . . 0.449 HG13 ' HB ' ' A' ' 799' ' ' VAL . 17.6 t -131.48 132.32 62.61 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 CA-C-N 115.575 -0.738 . . . . 25.0 110.452 -177.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.21 158.64 15.35 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -49.57 -44.53 46.87 Favored 'General case' 0 C--O 1.213 -0.861 0 C-N-CA 122.837 0.455 . . . . 25.0 110.71 178.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -24.12 62.27 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.195 -0.602 . . . . 25.0 110.489 -174.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -75.98 -40.15 54.39 Favored 'General case' 0 C--O 1.217 -0.634 0 C-N-CA 120.258 -0.577 . . . . 25.0 111.481 -177.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.402 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.0 OUTLIER -69.83 -28.05 65.37 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 118.646 -1.222 . . . . 25.0 110.445 177.708 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 14.7 mm -65.33 -27.88 43.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.215 0.531 . . . . 25.0 109.788 176.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -61.2 -47.84 84.29 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 121.786 -0.571 . . . . 25.0 110.307 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 815' ' ' PHE . . . . . 0.402 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.8 p90 . . . . . 0 C--O 1.207 -1.147 0 C-N-CA 119.566 -0.854 . . . . 25.0 111.233 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.521 0 CA-C-O 121.051 0.453 . . . . 25.0 110.511 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.51 -38.31 80.61 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.968 -0.382 . . . . 25.0 109.968 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 55.8 p -68.31 -38.47 81.61 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.493 0.553 . . . . 25.0 112.493 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -68.43 -34.06 75.33 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 109.362 -0.607 . . . . 25.0 109.362 -178.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -65.45 -20.09 66.21 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.684 -0.689 . . . . 25.0 112.761 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 83.8 mt -77.78 -42.44 28.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 107.963 -1.125 . . . . 25.0 107.963 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.68 -29.33 25.72 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.257 0.551 . . . . 25.0 112.155 -175.131 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.614 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -106.42 15.7 25.66 Favored 'General case' 0 C--O 1.206 -1.217 0 N-CA-C 112.213 0.449 . . . . 25.0 112.213 -177.238 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -61.25 -21.94 60.26 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 109.877 -1.289 . . . . 25.0 109.877 172.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -74.97 -17.21 60.58 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.087 0.402 . . . . 25.0 112.087 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -130.3 -176.64 4.02 Favored 'General case' 0 C--O 1.213 -0.833 0 CA-C-N 118.58 0.627 . . . . 25.0 110.096 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -108.04 13.07 26.37 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.125 -0.694 . . . . 25.0 109.125 174.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 842' ' ' TYR . . . . . 0.401 ' HB3' ' CE1' ' A' ' 867' ' ' TYR . 6.5 p90 -157.67 176.51 12.52 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.32 -0.622 . . . . 25.0 109.32 -176.669 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 843' ' ' ILE . . . . . 0.614 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.7 OUTLIER -135.92 151.15 28.87 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 N-CA-C 108.431 -0.952 . . . . 25.0 108.431 -177.888 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 71.1 p -100.7 158.46 15.93 Favored 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 119.482 -0.887 . . . . 25.0 109.364 174.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 69.9 mtm -59.91 -30.09 68.8 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 114.498 -1.228 . . . . 25.0 109.562 176.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -71.53 -43.82 65.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.5 0.667 . . . . 25.0 110.797 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -65.07 -46.75 79.87 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 116.133 -0.485 . . . . 25.0 111.35 -177.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.3 pp -67.31 -24.73 65.78 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.729 -0.607 . . . . 25.0 111.272 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -74.31 -12.32 60.51 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.738 -0.601 . . . . 25.0 111.328 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 17.3 ptt180 -77.43 -26.14 51.31 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 108.456 -0.942 . . . . 25.0 108.456 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -82.95 -42.42 17.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.962 0.886 . . . . 25.0 110.31 -176.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.13 78.66 75.78 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-N 115.213 -0.903 . . . . 25.0 109.867 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -54.33 -33.84 77.93 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 N-CA-C 118.974 2.644 . . . . 25.0 118.974 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -77.17 -164.81 0.29 Allowed 'Trans proline' 0 C--N 1.365 1.41 0 C-N-CA 115.096 -2.803 . . . . 25.0 112.838 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -53.38 -15.82 1.16 Allowed 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 114.359 1.244 . . . . 25.0 114.359 -177.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -53.03 -38.7 62.62 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 122.08 -0.388 . . . . 25.0 110.716 174.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.4 -41.12 96.83 Favored 'General case' 0 C--O 1.218 -0.555 0 O-C-N 122.112 -0.367 . . . . 25.0 110.267 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -68.2 -38.76 82.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.246 0.546 . . . . 25.0 109.985 -176.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -65.96 -32.02 73.26 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.295 -0.631 . . . . 25.0 109.295 176.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 54.4 m -72.07 -41.16 67.7 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 110.077 -0.342 . . . . 25.0 110.077 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 19.1 mt -64.24 -37.69 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 N-CA-C 108.807 -0.812 . . . . 25.0 108.807 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -71.15 1.12 6.33 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 112.469 0.544 . . . . 25.0 112.469 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -121.3 -35.33 3.3 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 112.51 0.559 . . . . 25.0 112.51 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 15.3 ttm -69.02 150.67 47.39 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 113.753 1.02 . . . . 25.0 113.753 -175.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -78.15 143.74 65.93 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.446 -0.797 . . . . 25.0 109.118 -175.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -76.23 152.78 35.5 Favored 'Trans proline' 0 C--O 1.233 0.266 0 CA-C-O 121.834 0.681 . . . . 25.0 112.702 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 867' ' ' TYR . . . . . 0.401 ' CE1' ' HB3' ' A' ' 842' ' ' TYR . 68.4 t80 -116.94 126.44 52.94 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.523 -0.762 . . . . 25.0 112.403 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 62.4 p -129.69 39.68 3.68 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.516 0.674 . . . . 25.0 110.182 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -85.21 -168.13 44.26 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 114.6 0.6 . . . . 25.0 114.6 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -69.82 -26.13 27.61 Favored 'Trans proline' 0 C--N 1.348 0.544 0 CA-C-N 118.866 1.333 . . . . 25.0 114.911 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -99.05 19.54 14.99 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.175 -0.676 . . . . 25.0 109.175 -178.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 83.0 p -75.16 153.85 37.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 122.852 1.31 . . . . 25.0 114.441 -171.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 3.3 m -138.7 164.21 41.37 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 103.07 -2.937 . . . . 25.0 103.07 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -66.96 -10.43 28.46 Favored 'Trans proline' 0 N--CA 1.475 0.421 0 C-N-CA 117.259 -1.361 . . . . 25.0 114.977 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -110.91 29.3 9.0 Favored Glycine 0 C--O 1.227 -0.33 0 N-CA-C 110.782 -0.927 . . . . 25.0 110.782 177.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -93.12 139.56 30.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.294 0.569 . . . . 25.0 111.49 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 66.7 mt -136.09 140.44 43.74 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 106.539 -1.652 . . . . 25.0 106.539 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -90.29 103.72 16.37 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 107.511 -1.292 . . . . 25.0 107.511 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -74.49 -36.36 63.25 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-N 115.29 -0.868 . . . . 25.0 109.169 -177.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 3.2 mtp -62.49 -26.58 68.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.469 0.652 . . . . 25.0 109.615 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.5 t -87.36 -19.09 28.64 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.953 -1.022 . . . . 25.0 113.422 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -57.88 -40.71 80.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.348 0.594 . . . . 25.0 111.93 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 41.2 t -56.99 -27.22 61.33 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.276 -0.42 . . . . 25.0 112.064 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 49.2 p -105.82 -11.34 16.28 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.548 0.944 . . . . 25.0 113.548 -176.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -153.32 118.88 5.26 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 122.571 0.349 . . . . 25.0 111.405 -176.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.2 pt? . . . . . 0 CA--C 1.512 -0.508 0 N-CA-C 106.761 -1.57 . . . . 25.0 106.761 178.106 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 . . . . . 0 C--O 1.222 -0.37 0 N-CA-C 111.12 0.044 . . . . 25.0 111.12 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.8 -56.66 4.7 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 121.521 0.676 . . . . 25.0 110.043 178.609 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 23.0 ptp -57.75 -25.32 60.27 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 119.989 -0.684 . . . . 25.0 110.524 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.3 -51.63 62.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.252 -0.431 . . . . 25.0 111.042 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -73.21 -32.16 64.6 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.441 -0.577 . . . . 25.0 109.441 -177.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -60.77 -44.05 97.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.963 0.411 . . . . 25.0 110.256 174.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -69.46 -42.31 75.06 Favored 'General case' 0 CA--C 1.511 -0.526 0 O-C-N 121.874 -0.516 . . . . 25.0 109.945 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.43 -38.7 90.67 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-O 119.136 -0.459 . . . . 25.0 111.916 -177.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 40.9 m -66.78 -44.75 80.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 118.332 0.514 . . . . 25.0 110.661 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -42.41 98.62 Favored 'General case' 0 C--O 1.209 -1.07 0 N-CA-C 108.759 -0.83 . . . . 25.0 108.759 177.18 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.52 -32.11 71.83 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.029 0.751 . . . . 25.0 113.029 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -67.76 -37.08 81.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.103 -0.373 . . . . 25.0 110.181 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -86.66 -37.96 17.5 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 109.422 -0.584 . . . . 25.0 109.422 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 759' ' ' ASP . . . . . 0.419 ' HA ' HD21 ' A' ' 766' ' ' LEU . 51.6 t0 -89.46 68.5 7.85 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-O 122.447 1.118 . . . . 25.0 109.069 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -74.36 -7.87 54.32 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.376 -1.284 . . . . 25.0 110.212 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -89.45 -11.48 42.93 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.759 -0.83 . . . . 25.0 108.759 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 52.93 37.88 25.58 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.863 1.265 . . . . 25.0 113.602 -178.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 26.4 m -71.16 -21.58 62.16 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.101 0.477 . . . . 25.0 110.046 177.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 91.95 -0.21 72.52 Favored Glycine 0 C--O 1.241 0.549 0 N-CA-C 109.726 -1.35 . . . . 25.0 109.726 -178.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 11.6 p -148.9 156.04 41.74 Favored 'General case' 0 CA--C 1.508 -0.647 0 C-N-CA 123.789 0.835 . . . . 25.0 110.013 -175.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 766' ' ' LEU . . . . . 0.466 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 21.0 mt -136.93 175.27 9.77 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 108.386 -0.968 . . . . 25.0 108.386 177.521 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -81.33 174.33 54.43 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 110.325 -1.11 . . . . 25.0 110.325 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -66.78 -35.84 26.23 Favored 'Trans proline' 0 C--N 1.343 0.269 0 CA-C-N 118.384 1.092 . . . . 25.0 113.261 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -77.5 -35.11 53.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.936 0.398 . . . . 25.0 111.146 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 82.1 mm-40 -63.6 -55.62 22.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.978 0.418 . . . . 25.0 110.552 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 771' ' ' PHE . . . . . 0.466 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.4 OUTLIER -60.16 -28.4 67.89 Favored 'General case' 0 C--O 1.198 -1.619 0 N-CA-C 113.559 0.948 . . . . 25.0 113.559 175.041 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 8.8 ttpt -63.53 -48.79 76.08 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.74 0.781 . . . . 25.0 108.94 176.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.78 -24.3 61.72 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.385 0.612 . . . . 25.0 110.866 -178.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 41.9 t -63.31 -32.42 73.83 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.705 -0.48 . . . . 25.0 109.705 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 16.7 mt -69.2 -34.09 74.35 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 121.37 0.605 . . . . 25.0 109.903 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 56.3 mt -59.38 -32.87 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-N 116.191 -0.459 . . . . 25.0 110.078 -178.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 20.0 t -62.46 -20.08 64.18 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.276 0.473 . . . . 25.0 112.276 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 20.5 mt -95.55 -20.97 18.57 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.431 -0.349 . . . . 25.0 110.476 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 118.54 35.91 0.96 Allowed Glycine 0 CA--C 1.52 0.394 0 CA-C-N 115.842 -0.617 . . . . 25.0 114.281 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -101.96 133.03 47.4 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.322 -0.992 . . . . 25.0 108.322 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -84.07 44.13 0.99 Allowed 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 121.534 0.683 . . . . 25.0 109.595 175.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 64.8 mt . . . . . 0 C--O 1.219 -0.505 0 N-CA-C 108.418 -0.956 . . . . 25.0 108.418 -176.968 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -1.337 0 N-CA-C 109.172 -1.571 . . . . 25.0 109.172 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.93 -34.31 71.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 118.301 1.05 . . . . 25.0 112.949 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -64.58 -33.48 76.01 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.699 0.285 . . . . 25.0 111.537 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -93.21 -25.19 17.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.447 0.641 . . . . 25.0 111.306 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -68.14 -35.19 77.69 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 108.387 -0.968 . . . . 25.0 108.387 177.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -58.75 -33.91 70.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.934 -0.575 . . . . 25.0 111.367 179.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 25.0 ptt-85 -86.48 -27.99 23.73 Favored 'General case' 0 C--O 1.219 -0.5 0 C-N-CA 119.736 -0.786 . . . . 25.0 110.331 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 38.2 mt -65.69 -47.42 86.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 122.221 0.208 . . . . 25.0 110.699 178.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 18.8 ptt? -60.84 -27.2 67.91 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-O 120.93 0.395 . . . . 25.0 111.463 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 66.2 m -72.99 -20.36 61.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 122.145 -0.347 . . . . 25.0 111.733 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 84.4 mt -92.0 -47.27 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.504 0 CA-C-O 121.453 0.644 . . . . 25.0 110.24 -177.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.432 ' HB ' HG13 ' A' ' 807' ' ' VAL . 31.9 m -76.18 -14.03 14.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.703 -0.68 . . . . 25.0 112.045 -176.59 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -151.99 69.74 7.7 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-O 121.902 0.858 . . . . 25.0 110.599 -176.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -72.74 -8.58 22.65 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 118.188 -0.742 . . . . 25.0 112.528 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -92.42 -6.34 50.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.141 -0.482 . . . . 25.0 110.737 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? 55.08 49.25 17.9 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-O 122.284 1.04 . . . . 25.0 111.675 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 83.9 mt -73.64 -24.8 60.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 113.923 -1.49 . . . . 25.0 108.65 175.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 87.81 19.36 54.14 Favored Glycine 0 N--CA 1.454 -0.144 0 CA-C-N 115.442 -0.799 . . . . 25.0 111.787 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 13.6 m -145.05 154.97 13.94 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.4 0 N-CA-C 109.619 -0.511 . . . . 25.0 109.619 -176.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 807' ' ' VAL . . . . . 0.432 HG13 ' HB ' ' A' ' 799' ' ' VAL . 14.5 t -131.06 132.17 63.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.711 -0.677 . . . . 25.0 109.524 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.29 161.44 13.8 Favored 'General case' 0 CA--C 1.506 -0.719 0 N-CA-C 109.45 -0.574 . . . . 25.0 109.45 179.029 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -52.27 -42.74 63.94 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-O 121.608 0.718 . . . . 25.0 110.414 178.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -22.99 59.11 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 121.624 -0.672 . . . . 25.0 109.512 -174.204 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -74.97 -41.68 59.1 Favored 'General case' 0 C--O 1.216 -0.709 0 C-N-CA 120.049 -0.66 . . . . 25.0 111.048 -177.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 812' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.45 -30.16 68.97 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 119.013 -1.075 . . . . 25.0 110.704 178.036 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 20.1 mm -62.01 -26.89 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.207 0.527 . . . . 25.0 109.654 176.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.6 -49.38 77.74 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 122.04 -0.412 . . . . 25.0 110.171 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 4.0 p90 . . . . . 0 CA--C 1.504 -0.789 0 C-N-CA 119.485 -0.886 . . . . 25.0 111.861 -178.515 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.239 0.529 0 CA-C-O 121.017 0.437 . . . . 25.0 110.117 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.32 91.83 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.034 -0.53 . . . . 25.0 110.069 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 61.4 p -65.04 -40.09 94.29 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 120.722 -0.391 . . . . 25.0 111.32 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -64.75 -46.7 81.09 Favored 'General case' 0 C--O 1.207 -1.17 0 C-N-CA 120.094 -0.643 . . . . 25.0 109.399 177.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -55.16 -30.09 59.15 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.53 0.937 . . . . 25.0 113.53 -175.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 78.1 mt -70.17 -43.98 78.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.91 -28.12 26.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.548 0.69 . . . . 25.0 111.622 -177.385 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.521 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -77.49 -13.34 59.94 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 113.385 0.883 . . . . 25.0 113.385 -175.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -57.41 -14.15 12.57 Favored Glycine 0 C--O 1.222 -0.598 0 O-C-N 123.686 0.616 . . . . 25.0 114.019 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -63.08 -31.81 73.04 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.348 0.659 . . . . 25.0 110.167 174.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -139.63 -155.96 0.64 Allowed 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 -176.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -115.43 13.49 16.52 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 121.961 -0.462 . . . . 25.0 110.429 174.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -156.01 179.22 9.42 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.203 -0.666 . . . . 25.0 109.203 -177.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 843' ' ' ILE . . . . . 0.521 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.2 OUTLIER -131.04 148.64 33.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.765 -0.828 . . . . 25.0 108.765 -177.681 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 34.1 p -99.04 158.12 15.88 Favored 'General case' 0 C--N 1.316 -0.862 0 O-C-N 121.653 -0.654 . . . . 25.0 109.831 173.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 70.5 mtm -59.67 -35.13 73.83 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.16 -0.927 . . . . 25.0 109.321 176.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -66.56 -42.26 87.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.362 0.601 . . . . 25.0 111.454 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -66.86 -49.14 66.62 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 116.18 -0.464 . . . . 25.0 111.696 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.12 -26.6 66.77 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 119.811 -0.756 . . . . 25.0 110.814 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 16.4 ttt180 -74.69 -12.85 60.53 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.869 -0.519 . . . . 25.0 111.788 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 850' ' ' ARG . . . . . 0.425 ' HG2' ' HG2' ' A' ' 851' ' ' GLU . 16.7 ptt180 -76.51 -28.85 56.55 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 107.962 -1.125 . . . . 25.0 107.962 178.365 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 851' ' ' GLU . . . . . 0.425 ' HG2' ' HG2' ' A' ' 850' ' ' ARG . 45.0 mm-40 -81.47 -41.33 21.94 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.256 -0.884 . . . . 25.0 110.63 -176.271 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.88 77.87 74.29 Favored Pre-proline 0 CA--C 1.539 0.531 0 CA-C-N 115.72 -0.673 . . . . 25.0 109.672 178.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -53.45 -34.14 70.35 Favored 'Trans proline' 0 CA--C 1.554 1.496 0 N-CA-C 118.672 2.528 . . . . 25.0 118.672 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.6 -166.89 0.38 Allowed 'Trans proline' 0 C--N 1.364 1.38 0 C-N-CA 115.247 -2.702 . . . . 25.0 112.946 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -52.2 -16.93 0.92 Allowed 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 115.14 1.533 . . . . 25.0 115.14 -177.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -51.97 -39.81 59.91 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 122.194 -0.316 . . . . 25.0 111.227 175.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.27 -41.29 96.99 Favored 'General case' 0 C--O 1.212 -0.883 0 C-N-CA 121.12 -0.232 . . . . 25.0 111.02 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -66.44 -41.37 89.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.442 0.639 . . . . 25.0 109.674 -177.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -65.67 -31.96 73.26 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.149 -0.685 . . . . 25.0 109.149 177.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 46.7 m -71.95 -42.15 66.94 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 110.008 -0.367 . . . . 25.0 110.008 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 20.7 mt -61.94 -42.03 93.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.528 -0.545 . . . . 25.0 109.528 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.5 -26.52 67.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.082 0.468 . . . . 25.0 111.474 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -93.03 -18.42 22.69 Favored 'General case' 0 C--O 1.211 -0.963 0 N-CA-C 112.572 0.582 . . . . 25.0 112.572 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 3.6 ttm -74.27 -178.52 3.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.242 0.544 . . . . 25.0 111.91 -176.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -113.48 144.61 31.65 Favored Pre-proline 0 N--CA 1.446 -0.64 0 N-CA-C 106.248 -1.76 . . . . 25.0 106.248 178.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -73.99 154.6 47.83 Favored 'Trans proline' 0 C--O 1.223 -0.253 0 CA-C-N 118.68 0.564 . . . . 25.0 112.114 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -113.09 132.32 55.47 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.125 0.787 . . . . 25.0 113.125 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 2.8 p -131.85 122.41 25.67 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 105.081 -2.192 . . . . 25.0 105.081 172.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -173.9 -173.23 39.88 Favored Glycine 0 CA--C 1.507 -0.42 0 C-N-CA 120.558 -0.83 . . . . 25.0 111.398 -176.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -69.86 -28.27 24.96 Favored 'Trans proline' 0 N--CA 1.473 0.267 0 CA-C-N 119.065 1.432 . . . . 25.0 114.744 -177.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -99.92 16.03 25.18 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.366 0.603 . . . . 25.0 109.895 -176.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 84.8 p -72.55 153.14 41.46 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 114.77 1.396 . . . . 25.0 114.77 -173.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 6.0 m -137.86 165.03 36.78 Favored Pre-proline 0 C--N 1.319 -0.748 0 N-CA-C 103.578 -2.749 . . . . 25.0 103.578 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.54 -9.38 26.04 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 115.883 -2.278 . . . . 25.0 114.351 -177.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -110.29 31.18 7.61 Favored Glycine 0 C--O 1.23 -0.151 0 CA-C-O 121.346 0.414 . . . . 25.0 112.234 177.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -92.98 137.37 32.43 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.603 0.594 . . . . 25.0 112.603 -176.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 61.1 mt -135.18 139.27 44.43 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.379 -0.971 . . . . 25.0 108.379 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -88.96 105.2 17.62 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 107.048 -1.464 . . . . 25.0 107.048 178.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -73.77 -33.34 64.21 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 114.872 -1.058 . . . . 25.0 108.742 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 4.1 ttm -68.34 -18.26 64.45 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.232 -0.895 . . . . 25.0 110.958 -177.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 4.7 t -94.61 -21.51 18.77 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.782 0.66 . . . . 25.0 112.782 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -58.14 -33.81 69.59 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.746 0.784 . . . . 25.0 110.974 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.66 -30.86 5.92 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 114.851 1.426 . . . . 25.0 114.851 177.336 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 8.8 t -109.5 -6.66 15.34 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.815 1.413 . . . . 25.0 114.815 -178.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -154.81 150.88 27.99 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.516 1.302 . . . . 25.0 114.516 -176.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.6 pt? . . . . . 0 N--CA 1.473 0.698 0 N-CA-C 106.59 -1.633 . . . . 25.0 106.59 178.432 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 120.271 0.081 . . . . 25.0 110.916 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -70.37 -56.76 5.89 Favored 'General case' 0 CA--C 1.504 -0.814 0 N-CA-C 109.28 -0.637 . . . . 25.0 109.28 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 18.9 ptp -58.13 -25.11 61.0 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 119.505 -0.878 . . . . 25.0 111.471 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -56.45 20.32 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 -179.294 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -71.26 -33.38 69.75 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.535 0.207 . . . . 25.0 110.569 -177.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -59.45 -51.64 69.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.29 0.567 . . . . 25.0 110.313 176.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -67.57 -40.63 84.89 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 122.038 -0.414 . . . . 25.0 110.534 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -67.03 -38.11 85.33 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 112.82 0.674 . . . . 25.0 112.82 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 16.9 t -68.82 -43.97 74.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 118.648 0.658 . . . . 25.0 110.105 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -40.98 85.9 Favored 'General case' 0 C--O 1.208 -1.106 0 N-CA-C 108.626 -0.879 . . . . 25.0 108.626 177.404 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.87 -32.63 71.1 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.447 0.642 . . . . 25.0 112.689 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -68.76 -32.42 72.16 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.503 -0.748 . . . . 25.0 111.19 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -89.87 -37.91 14.1 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 108.365 -0.976 . . . . 25.0 108.365 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 759' ' ' ASP . . . . . 0.403 ' HA ' HD21 ' A' ' 766' ' ' LEU . 55.0 t0 -88.28 69.91 9.14 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 122.185 0.993 . . . . 25.0 108.669 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 37.7 mtp85 -78.35 -6.87 56.39 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.687 -1.142 . . . . 25.0 110.47 -178.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -94.75 1.74 55.47 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 108.205 -1.035 . . . . 25.0 108.205 178.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 16.3 p80 39.99 41.19 0.85 Allowed 'General case' 0 C--O 1.239 0.51 0 C-N-CA 125.336 1.455 . . . . 25.0 114.207 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.26 -22.8 61.17 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.909 0.385 . . . . 25.0 110.17 179.619 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 92.44 1.1 69.22 Favored Glycine 0 C--O 1.243 0.669 0 N-CA-C 109.397 -1.481 . . . . 25.0 109.397 -178.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -149.94 157.37 43.1 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 123.729 0.811 . . . . 25.0 108.866 -174.69 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 766' ' ' LEU . . . . . 0.477 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 14.2 mt -139.66 171.04 14.81 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.614 -0.884 . . . . 25.0 108.614 177.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -78.49 173.7 55.2 Favored Glycine 0 N--CA 1.45 -0.388 0 N-CA-C 111.497 -0.641 . . . . 25.0 111.497 -178.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -67.08 -30.49 38.5 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 121.134 1.223 . . . . 25.0 113.275 -177.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -81.52 -38.0 26.94 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.009 0.433 . . . . 25.0 110.558 178.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -62.69 -55.27 28.4 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.991 -0.55 . . . . 25.0 110.433 -178.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 771' ' ' PHE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.2 OUTLIER -61.98 -27.59 68.96 Favored 'General case' 0 C--O 1.21 -0.988 0 N-CA-C 113.247 0.832 . . . . 25.0 113.247 175.839 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -67.07 -44.66 79.52 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 118.606 0.639 . . . . 25.0 109.603 177.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.63 -25.91 62.35 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.006 0.432 . . . . 25.0 110.623 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 40.8 t -61.46 -36.14 79.56 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.139 -0.689 . . . . 25.0 109.139 177.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 16.6 mt -65.81 -32.02 73.31 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 115.81 -0.632 . . . . 25.0 112.082 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 68.8 mt -57.87 -35.19 50.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 O-C-N 121.879 -0.513 . . . . 25.0 110.493 -176.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 93.2 p -65.59 -18.99 65.73 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.382 0.512 . . . . 25.0 112.382 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 14.1 mt -94.14 -13.38 26.8 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 123.415 0.447 . . . . 25.0 110.766 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 113.7 37.23 1.31 Allowed Glycine 0 C--O 1.214 -1.126 0 N-CA-C 113.835 0.294 . . . . 25.0 113.835 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -108.61 128.92 55.25 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.008 -1.108 . . . . 25.0 108.008 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -84.51 51.33 2.08 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.487 0.66 . . . . 25.0 110.31 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 41.7 mt . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 121.507 0.67 . . . . 25.0 109.234 -175.364 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.205 -1.716 0 N-CA-C 109.615 -1.394 . . . . 25.0 109.615 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.53 -36.96 79.68 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.75 -0.853 . . . . 25.0 111.498 177.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.05 -38.3 90.65 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.648 0.261 . . . . 25.0 111.177 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -90.31 -17.0 28.14 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-O 121.479 0.657 . . . . 25.0 110.821 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -75.36 -33.52 61.07 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 108.042 -1.096 . . . . 25.0 108.042 175.32 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.12 -33.69 71.17 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.098 0.407 . . . . 25.0 112.098 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 23.3 ptt180 -80.55 -30.74 37.08 Favored 'General case' 0 C--O 1.214 -0.776 0 N-CA-C 108.547 -0.909 . . . . 25.0 108.547 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 59.1 mt -68.53 -48.55 71.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 122.495 0.318 . . . . 25.0 111.328 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 10.2 ptm -61.67 -27.55 68.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.986 0.422 . . . . 25.0 110.866 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 46.6 m -74.49 -16.27 60.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.768 0.318 . . . . 25.0 111.718 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 81.9 mt -97.31 -48.37 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-O 121.3 0.572 . . . . 25.0 110.643 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.411 ' HB ' HG13 ' A' ' 807' ' ' VAL . 21.7 m -75.85 -14.06 15.1 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 CA-C-N 115.572 -0.74 . . . . 25.0 112.389 -176.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -152.73 66.18 6.11 Favored Pre-proline 0 CA--C 1.545 0.752 0 CA-C-O 121.415 0.626 . . . . 25.0 112.186 -175.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -73.41 -12.12 24.92 Favored 'Trans proline' 0 CA--C 1.535 0.533 0 C-N-CA 117.415 -1.257 . . . . 25.0 111.507 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.84 -7.34 59.22 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 116.099 -0.5 . . . . 25.0 110.32 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 51.4 mmm-85 55.88 45.9 23.18 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 124.483 1.114 . . . . 25.0 111.342 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 87.3 mt -69.11 -24.68 64.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.754 -1.112 . . . . 25.0 108.867 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.86 19.27 58.17 Favored Glycine 0 C--N 1.316 -0.544 0 N-CA-C 111.053 -0.819 . . . . 25.0 111.053 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 3.5 m -147.92 155.55 9.96 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 CA-C-O 121.273 0.559 . . . . 25.0 109.721 -177.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 807' ' ' VAL . . . . . 0.411 HG13 ' HB ' ' A' ' 799' ' ' VAL . 16.6 t -130.36 133.17 64.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.19 -0.914 . . . . 25.0 109.888 -178.432 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.97 160.62 14.19 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 109.151 -0.685 . . . . 25.0 109.151 179.513 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -51.9 -42.99 63.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.408 0.623 . . . . 25.0 110.219 178.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -23.61 60.89 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 121.78 -0.575 . . . . 25.0 109.667 -174.695 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -74.85 -40.27 61.1 Favored 'General case' 0 C--O 1.21 -0.982 0 C-N-CA 120.603 -0.439 . . . . 25.0 111.694 -177.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 812' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -69.84 -29.38 66.63 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 118.877 -1.129 . . . . 25.0 109.587 178.386 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 22.2 mm -62.9 -27.7 43.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 121.806 -0.558 . . . . 25.0 109.642 176.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -61.77 -41.86 98.24 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.378 -0.601 . . . . 25.0 109.378 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 3.5 p90 . . . . . 0 C--O 1.212 -0.901 0 C-N-CA 119.251 -0.98 . . . . 25.0 112.098 178.397 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 8.5 tpt . . . . . 0 CA--C 1.534 0.337 0 CA-C-O 122.272 1.034 . . . . 25.0 109.824 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -63.82 -35.73 81.57 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 115.839 -0.619 . . . . 25.0 110.167 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 21.4 t -60.53 -43.54 97.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.074 0.398 . . . . 25.0 112.074 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -63.31 -35.29 79.87 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.25 -0.58 . . . . 25.0 109.99 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -69.12 -19.04 64.03 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 123.068 0.547 . . . . 25.0 112.456 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 66.4 mt -83.73 -39.56 15.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 N-CA-C 108.136 -1.061 . . . . 25.0 108.136 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 836' ' ' LEU . . . . . 0.449 ' HG ' HD11 ' A' ' 843' ' ' ILE . 0.3 OUTLIER -84.69 -33.41 23.18 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.462 0.542 . . . . 25.0 112.462 -174.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.883 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -74.97 -47.51 28.99 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 106.411 -1.7 . . . . 25.0 106.411 174.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 54.83 -97.52 0.04 OUTLIER Glycine 0 CA--C 1.489 -1.556 0 CA-C-N 112.153 -2.294 . . . . 25.0 114.23 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -83.34 0.81 44.25 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 120.178 -0.609 . . . . 25.0 112.543 -175.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -95.95 143.9 26.73 Favored 'General case' 0 CA--C 1.502 -0.886 0 N-CA-C 106.364 -1.717 . . . . 25.0 106.364 175.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -86.86 7.56 26.67 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.392 0.615 . . . . 25.0 109.941 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -152.79 174.84 13.55 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.079 -0.712 . . . . 25.0 109.079 -177.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 843' ' ' ILE . . . . . 0.883 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.2 OUTLIER -137.36 155.13 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 N-CA-C 107.215 -1.402 . . . . 25.0 107.215 -177.134 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 73.8 p -104.78 161.01 14.53 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 108.215 -1.032 . . . . 25.0 108.215 173.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 73.0 mtm -60.69 -37.72 82.56 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.189 -0.914 . . . . 25.0 109.046 176.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.38 -38.55 91.44 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.17 -0.468 . . . . 25.0 111.801 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -67.28 -48.43 67.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.324 -0.398 . . . . 25.0 110.91 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.9 pp -72.6 -28.77 62.98 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.311 -0.956 . . . . 25.0 111.077 -177.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -74.92 -12.99 60.48 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 121.212 -0.93 . . . . 25.0 111.195 177.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -73.3 -24.77 60.44 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.41 -0.806 . . . . 25.0 109.009 177.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -97.06 -31.98 12.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 123.607 0.567 . . . . 25.0 110.994 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.76 75.54 70.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 109.865 -0.42 . . . . 25.0 109.865 175.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -54.46 -35.3 84.77 Favored 'Trans proline' 0 CA--C 1.548 1.188 0 N-CA-C 118.682 2.532 . . . . 25.0 118.682 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -77.12 -162.0 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 C-N-CA 115.715 -2.39 . . . . 25.0 113.201 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -53.57 -16.2 1.45 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 114.65 1.352 . . . . 25.0 114.65 -177.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 31.3 mm100 -52.24 -44.88 65.1 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 121.801 -0.562 . . . . 25.0 110.316 174.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.67 -38.52 91.43 Favored 'General case' 0 C--O 1.214 -0.781 0 C-N-CA 120.898 -0.321 . . . . 25.0 111.601 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -66.99 -40.28 87.33 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.067 0.46 . . . . 25.0 110.342 -177.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -66.34 -32.65 74.18 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 108.315 -0.995 . . . . 25.0 108.315 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 63.3 m -71.54 -43.24 66.76 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 122.397 -0.189 . . . . 25.0 110.557 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 15.8 mt -64.65 -36.38 77.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.222 -0.659 . . . . 25.0 109.222 179.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.96 -15.17 62.76 Favored 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 111.953 0.353 . . . . 25.0 111.953 177.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -108.34 -30.97 8.04 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 114.013 1.116 . . . . 25.0 114.013 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 8.7 ttm -68.89 153.39 43.88 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 113.473 0.916 . . . . 25.0 113.473 -176.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -82.11 145.04 51.93 Favored Pre-proline 0 C--N 1.317 -0.82 0 N-CA-C 108.765 -0.828 . . . . 25.0 108.765 -177.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -75.75 152.1 37.0 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 120.982 1.121 . . . . 25.0 113.181 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -115.49 125.64 53.31 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 113.132 0.79 . . . . 25.0 113.132 -178.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 6.3 m -131.49 66.69 1.54 Allowed 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.66 -0.867 . . . . 25.0 108.66 177.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -116.26 -167.46 14.83 Favored Glycine 0 N--CA 1.46 0.286 0 CA-C-N 115.422 -0.808 . . . . 25.0 113.721 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -69.84 -29.99 22.6 Favored 'Trans proline' 0 C--N 1.349 0.574 0 N-CA-C 115.313 1.236 . . . . 25.0 115.313 -178.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -96.91 29.58 3.01 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 109.331 -0.618 . . . . 25.0 109.331 -178.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 95.9 p -78.26 148.37 33.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 123.202 1.477 . . . . 25.0 112.898 -173.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 15.7 m -135.43 163.35 51.49 Favored Pre-proline 0 C--N 1.319 -0.744 0 N-CA-C 103.082 -2.933 . . . . 25.0 103.082 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -57.67 -23.99 60.49 Favored 'Trans proline' 0 C--N 1.349 0.576 0 N-CA-C 116.32 1.623 . . . . 25.0 116.32 -177.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -109.63 37.67 3.67 Favored Glycine 0 CA--C 1.507 -0.428 0 CA-C-O 119.823 -0.431 . . . . 25.0 113.061 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -91.3 138.37 31.64 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.209 0.528 . . . . 25.0 111.584 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 43.8 mt -134.56 139.49 45.43 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 108.07 -1.085 . . . . 25.0 108.07 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -89.8 103.5 16.15 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 107.057 -1.46 . . . . 25.0 107.057 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -75.93 -35.52 59.72 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-N 115.249 -0.887 . . . . 25.0 109.04 -176.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 1.5 mtp -63.99 -23.97 67.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.239 0.542 . . . . 25.0 110.153 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 4.0 t -87.23 -18.61 29.87 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.104 0.779 . . . . 25.0 113.104 177.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -57.75 -41.49 82.02 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.173 0.511 . . . . 25.0 111.404 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -18.81 8.05 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 114.457 1.28 . . . . 25.0 114.457 175.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 43.0 p -109.25 -16.85 13.97 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 114.099 1.148 . . . . 25.0 114.099 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -156.72 136.48 12.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.867 0.365 . . . . 25.0 111.395 -177.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.4 pt? . . . . . 0 C--N 1.325 -0.471 0 N-CA-C 105.941 -1.874 . . . . 25.0 105.941 176.501 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 . . . . . 0 N--CA 1.451 -0.387 0 CA-C-O 119.54 -0.266 . . . . 25.0 111.0 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.26 -55.74 6.02 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-O 120.986 0.422 . . . . 25.0 110.834 178.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 23.0 ptp -58.51 -25.4 62.34 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 119.505 -0.878 . . . . 25.0 110.418 178.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -54.97 28.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.568 -0.742 . . . . 25.0 110.032 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -72.72 -30.64 64.36 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 110.167 -0.309 . . . . 25.0 110.167 -176.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -60.23 -50.31 74.16 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.206 -0.664 . . . . 25.0 109.206 175.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -65.67 -42.31 91.44 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 120.947 -0.301 . . . . 25.0 110.71 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -67.21 -37.93 84.44 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 113.132 0.789 . . . . 25.0 113.132 -177.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 50.9 m -68.74 -42.7 77.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 118.045 0.384 . . . . 25.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -41.68 94.86 Favored 'General case' 0 C--O 1.209 -1.076 0 N-CA-C 107.913 -1.143 . . . . 25.0 107.913 177.14 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.32 -29.42 64.99 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.952 0.723 . . . . 25.0 112.952 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -72.14 -31.67 66.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.136 0.494 . . . . 25.0 110.365 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -89.1 -39.37 13.67 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 109.174 -0.676 . . . . 25.0 109.174 178.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 759' ' ' ASP . . . . . 0.436 ' HA ' HD21 ' A' ' 766' ' ' LEU . 48.1 t0 -90.79 71.18 6.62 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 122.758 1.266 . . . . 25.0 108.287 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -79.99 -0.5 35.59 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 113.911 -1.495 . . . . 25.0 110.427 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -93.87 -11.49 31.0 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 107.431 -1.322 . . . . 25.0 107.431 177.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 55.43 36.73 27.72 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 114.395 -1.275 . . . . 25.0 112.35 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 40.2 t -69.83 -26.7 64.36 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 114.863 -1.062 . . . . 25.0 109.885 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 93.65 -1.57 68.99 Favored Glycine 0 C--O 1.238 0.372 0 N-CA-C 109.81 -1.316 . . . . 25.0 109.81 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 16.3 p -147.95 154.93 40.98 Favored 'General case' 0 CA--C 1.506 -0.738 0 C-N-CA 123.453 0.701 . . . . 25.0 109.922 -176.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 766' ' ' LEU . . . . . 0.475 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 21.3 mt -137.7 173.38 11.71 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.24 -1.022 . . . . 25.0 108.24 177.153 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.13 174.26 55.29 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 121.102 -0.57 . . . . 25.0 111.75 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.71 -27.93 31.32 Favored 'Trans proline' 0 C--O 1.225 -0.166 0 C-N-CA 121.099 1.2 . . . . 25.0 112.322 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -82.71 -37.7 24.37 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.786 0.327 . . . . 25.0 110.379 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -67.38 -53.59 27.98 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.614 -0.267 . . . . 25.0 110.458 -178.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 771' ' ' PHE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -58.62 -30.95 67.65 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 112.923 0.712 . . . . 25.0 112.923 174.086 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -65.13 -44.4 88.81 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.608 0.64 . . . . 25.0 109.875 177.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -72.52 -24.94 61.22 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.035 0.445 . . . . 25.0 110.921 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 49.4 t -63.12 -35.75 81.32 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 109.621 -0.511 . . . . 25.0 109.621 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 14.8 mt -64.58 -35.65 81.66 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-O 121.903 0.859 . . . . 25.0 109.719 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 61.4 mt -60.92 -32.52 52.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 O-C-N 121.575 -0.703 . . . . 25.0 110.48 -176.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 19.1 t -61.8 -21.72 64.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.366 -0.379 . . . . 25.0 111.617 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 18.0 mt -92.32 -20.7 20.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.198 0.523 . . . . 25.0 110.22 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 124.45 20.06 2.47 Favored Glycine 0 C--O 1.218 -0.886 0 N-CA-C 115.084 0.794 . . . . 25.0 115.084 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -87.49 141.71 28.42 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.536 -1.283 . . . . 25.0 107.536 -177.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -96.17 35.01 1.49 Allowed 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.088 -0.96 . . . . 25.0 111.091 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 77.8 mt . . . . . 0 C--N 1.327 -0.388 0 N-CA-C 105.469 -2.048 . . . . 25.0 105.469 -177.671 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.927 0 N-CA-C 109.537 -1.425 . . . . 25.0 109.537 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -58.96 -35.85 73.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 118.691 1.246 . . . . 25.0 111.374 177.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.9 -32.6 74.18 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-O 119.149 -0.453 . . . . 25.0 111.097 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -97.57 -20.91 17.38 Favored 'General case' 0 N--CA 1.424 -1.738 0 N-CA-C 109.754 -0.461 . . . . 25.0 109.754 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.08 -33.01 65.37 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 106.497 -1.668 . . . . 25.0 106.497 178.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.59 -29.77 68.2 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.826 0.822 . . . . 25.0 112.991 177.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.6 -39.2 24.86 Favored 'General case' 0 N--CA 1.503 2.193 0 N-CA-C 107.239 -1.393 . . . . 25.0 107.239 178.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 72.4 mt -60.08 -49.54 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.244 0 CA-C-N 116.188 -0.46 . . . . 25.0 110.382 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 25.9 ptm -62.04 -28.35 69.53 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-O 121.007 0.432 . . . . 25.0 110.585 -177.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 59.4 m -72.78 -19.7 61.3 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.869 -0.519 . . . . 25.0 111.589 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 75.8 mt -94.68 -47.7 13.2 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 CA-C-O 121.121 0.486 . . . . 25.0 110.354 -177.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.433 ' HB ' HG13 ' A' ' 807' ' ' VAL . 26.4 m -74.75 -14.12 15.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 112.56 0.578 . . . . 25.0 112.56 -176.386 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -150.93 70.25 8.56 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.268 -0.878 . . . . 25.0 110.425 -176.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -72.7 -14.45 27.13 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 117.367 -1.289 . . . . 25.0 111.69 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.5 -9.05 58.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.471 -0.331 . . . . 25.0 111.313 -178.457 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 25.5 mmt85 58.92 46.43 13.76 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.042 0.839 . . . . 25.0 111.752 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 84.1 mt -71.27 -26.52 62.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.26 -1.336 . . . . 25.0 109.283 176.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 87.84 20.14 51.43 Favored Glycine 0 C--O 1.227 -0.317 0 CA-C-N 115.448 -0.796 . . . . 25.0 111.724 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 13.5 m -146.3 157.56 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 109.46 -0.571 . . . . 25.0 109.46 -176.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 807' ' ' VAL . . . . . 0.433 HG13 ' HB ' ' A' ' 799' ' ' VAL . 15.8 t -131.79 133.47 61.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 123.191 0.596 . . . . 25.0 110.239 -178.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.31 160.49 14.3 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.577 -0.527 . . . . 25.0 109.577 178.672 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -52.69 -43.07 65.34 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-O 121.892 0.853 . . . . 25.0 110.314 178.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -20.72 59.45 Favored 'General case' 0 C--N 1.314 -0.945 0 O-C-N 121.736 -0.602 . . . . 25.0 110.002 -174.318 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -77.01 -39.68 49.41 Favored 'General case' 0 C--O 1.217 -0.63 0 C-N-CA 120.172 -0.611 . . . . 25.0 110.892 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.412 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 0.7 OUTLIER -68.17 -31.48 71.06 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 118.635 -1.226 . . . . 25.0 109.05 177.081 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 17.0 mm -64.83 -28.33 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 109.128 -0.693 . . . . 25.0 109.128 178.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -61.64 -44.89 96.13 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.912 -0.315 . . . . 25.0 110.672 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 815' ' ' PHE . . . . . 0.412 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.7 p90 . . . . . 0 CA--C 1.515 -0.374 0 C-N-CA 119.276 -0.969 . . . . 25.0 111.011 177.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 22.9 ttm . . . . . 0 CA--C 1.516 -0.36 0 N-CA-C 109.863 -0.421 . . . . 25.0 109.863 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -57.14 -36.42 70.69 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.127 -0.323 . . . . 25.0 110.127 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 15.7 m -71.55 -44.29 64.83 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 121.094 -0.242 . . . . 25.0 110.999 -178.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -63.7 -39.59 94.68 Favored 'General case' 0 C--O 1.206 -1.186 0 C-N-CA 119.883 -0.727 . . . . 25.0 109.733 178.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -55.62 -27.1 47.73 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.197 0.599 . . . . 25.0 112.589 -177.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 59.7 mt -71.96 -46.49 59.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.162 -0.681 . . . . 25.0 109.162 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.75 -27.2 27.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.844 0.831 . . . . 25.0 111.971 -176.073 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.572 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -79.99 -14.15 58.8 Favored 'General case' 0 C--O 1.205 -1.273 0 CA-C-N 115.212 -0.904 . . . . 25.0 113.107 -177.077 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -57.47 -16.24 20.69 Favored Glycine 0 C--O 1.22 -0.73 0 O-C-N 123.382 0.426 . . . . 25.0 114.042 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -64.98 -29.97 70.92 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.461 0.704 . . . . 25.0 110.917 174.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -138.03 -165.09 1.73 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.097 0.559 . . . . 25.0 109.906 -175.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -107.57 9.0 29.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.156 -0.34 . . . . 25.0 110.525 175.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -156.89 -179.54 8.31 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.858 -0.423 . . . . 25.0 109.858 -176.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 843' ' ' ILE . . . . . 0.572 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.2 OUTLIER -134.19 151.71 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 108.581 -0.896 . . . . 25.0 108.581 -178.262 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 64.3 p -102.72 162.68 12.73 Favored 'General case' 0 C--N 1.315 -0.935 0 O-C-N 120.978 -1.076 . . . . 25.0 108.777 173.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 71.9 mtm -60.06 -36.09 76.58 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.155 -0.929 . . . . 25.0 110.3 177.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -68.14 -40.1 82.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.082 -0.508 . . . . 25.0 111.3 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -67.32 -45.42 76.5 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 116.108 -0.496 . . . . 25.0 111.631 -178.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.0 pp -70.02 -26.4 64.04 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.399 -0.921 . . . . 25.0 110.247 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -75.37 -11.24 60.01 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 121.662 -0.649 . . . . 25.0 111.403 177.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -70.06 -27.82 64.95 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 176.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -82.98 -46.67 12.61 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.427 -0.806 . . . . 25.0 109.717 -178.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.74 82.66 59.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.309 -0.86 . . . . 25.0 110.206 -178.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -60.86 -27.0 84.1 Favored 'Trans proline' 0 CA--C 1.549 1.229 0 N-CA-C 118.453 2.444 . . . . 25.0 118.453 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -75.77 -164.58 0.25 Allowed 'Trans proline' 0 C--N 1.362 1.254 0 C-N-CA 113.539 -3.841 . . . . 25.0 112.541 177.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -57.37 -14.11 4.27 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 115.251 1.575 . . . . 25.0 115.251 -177.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -50.4 -40.2 49.27 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.716 -0.615 . . . . 25.0 110.895 173.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.78 95.18 Favored 'General case' 0 C--O 1.213 -0.833 0 C-N-CA 120.668 -0.413 . . . . 25.0 111.281 178.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -63.44 -44.33 94.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.883 0.849 . . . . 25.0 108.796 -177.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -65.92 -33.66 76.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.452 -0.795 . . . . 25.0 109.511 178.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 56.9 m -70.35 -38.08 74.74 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 122.339 -0.226 . . . . 25.0 111.008 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 20.2 mt -64.7 -31.81 55.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.12 -0.696 . . . . 25.0 109.12 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -77.31 -14.07 59.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 122.372 1.082 . . . . 25.0 109.752 -176.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.06 -12.45 14.84 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.049 -0.978 . . . . 25.0 111.568 -175.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 9.0 ttm -88.26 172.48 9.41 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.067 0.46 . . . . 25.0 111.666 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -99.21 145.78 30.61 Favored Pre-proline 0 CA--C 1.545 0.785 0 N-CA-C 107.577 -1.268 . . . . 25.0 107.577 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -76.17 154.71 37.3 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 120.709 0.939 . . . . 25.0 113.786 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -123.73 124.85 43.64 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 112.9 0.704 . . . . 25.0 112.9 179.026 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 73.5 p -131.55 42.76 3.15 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 108.359 -0.978 . . . . 25.0 108.359 177.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -84.52 -168.11 43.78 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-N 115.532 -0.758 . . . . 25.0 113.397 -177.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -68.91 -28.16 29.82 Favored 'Trans proline' 0 CA--C 1.536 0.606 0 CA-C-N 118.882 1.341 . . . . 25.0 114.894 -177.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -96.63 20.55 10.62 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.354 0.597 . . . . 25.0 110.027 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 85.9 p -75.55 154.52 36.75 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.926 1.454 . . . . 25.0 114.926 -172.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 6.6 m -137.04 166.39 27.55 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 104.005 -2.591 . . . . 25.0 104.005 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -68.09 -2.58 9.09 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 116.928 -1.581 . . . . 25.0 115.637 -177.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -126.03 40.03 1.91 Allowed Glycine 0 CA--C 1.509 -0.321 0 N-CA-C 111.588 -0.605 . . . . 25.0 111.588 176.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -95.54 139.4 31.86 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 112.468 0.544 . . . . 25.0 112.468 -177.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 63.7 mt -136.54 142.81 43.45 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.423 -0.954 . . . . 25.0 108.423 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -91.82 107.0 18.9 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 107.544 -1.28 . . . . 25.0 107.544 178.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -76.87 -34.41 57.79 Favored 'General case' 0 CA--C 1.497 -1.07 0 CA-C-N 115.274 -0.876 . . . . 25.0 109.144 -177.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -27.27 67.63 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.077 -0.51 . . . . 25.0 109.944 -179.262 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.3 t -86.03 -10.66 54.63 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 113.161 0.8 . . . . 25.0 113.161 -176.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -59.02 -38.4 79.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.238 0.542 . . . . 25.0 111.604 -177.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 20.4 p -65.5 -14.23 60.58 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.909 -0.494 . . . . 25.0 112.035 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 44.4 p -109.25 -15.66 14.23 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.906 0.706 . . . . 25.0 112.906 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -157.92 131.58 7.84 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.155 0.502 . . . . 25.0 112.006 -177.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 N-CA-C 105.76 -1.941 . . . . 25.0 105.76 177.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 110.458 -0.201 . . . . 25.0 110.458 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.77 -53.59 11.18 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 121.405 0.621 . . . . 25.0 110.305 178.537 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 24.6 ptp -60.06 -25.67 65.55 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 119.294 -0.962 . . . . 25.0 109.978 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -52.55 61.41 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.83 -0.433 . . . . 25.0 109.83 178.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -73.21 -30.18 63.33 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 110.048 -0.352 . . . . 25.0 110.048 -177.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -63.57 -44.3 94.49 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.273 0.558 . . . . 25.0 109.722 176.045 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -67.03 -42.75 84.35 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 109.119 -0.697 . . . . 25.0 109.119 178.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -66.92 -38.23 85.82 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 113.424 0.898 . . . . 25.0 113.424 -177.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 17.2 p -70.38 -42.93 71.11 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 118.797 0.726 . . . . 25.0 109.766 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -40.52 84.89 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 108.434 -0.95 . . . . 25.0 108.434 176.206 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.23 -31.17 65.58 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-O 121.42 0.629 . . . . 25.0 112.242 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -67.12 -32.37 73.46 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 121.705 -0.622 . . . . 25.0 110.286 -178.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -92.22 -41.67 10.29 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 108.748 -0.834 . . . . 25.0 108.748 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -90.46 71.73 6.97 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 122.662 1.22 . . . . 25.0 109.229 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 36.9 mtm180 -80.93 1.0 32.88 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 113.975 -1.466 . . . . 25.0 110.939 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -96.53 -9.87 28.59 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.053 -1.091 . . . . 25.0 108.053 178.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 54.68 39.61 31.39 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.823 1.249 . . . . 25.0 111.946 -178.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 47.5 t -68.76 -24.71 64.47 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.291 -1.004 . . . . 25.0 108.291 176.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 90.56 -3.84 81.84 Favored Glycine 0 C--O 1.243 0.669 0 N-CA-C 109.201 -1.56 . . . . 25.0 109.201 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 19.2 p -145.66 158.84 43.8 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 123.632 0.773 . . . . 25.0 109.783 -175.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 766' ' ' LEU . . . . . 0.479 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 25.3 mt -139.95 173.59 11.37 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.906 -1.146 . . . . 25.0 107.906 175.468 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -85.67 -179.27 50.3 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 110.267 -1.133 . . . . 25.0 110.267 -178.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -68.56 -32.17 25.23 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 121.659 1.573 . . . . 25.0 115.207 -174.059 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -84.87 -35.78 21.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.51 -0.744 . . . . 25.0 109.408 -178.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -63.2 -53.96 44.96 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.261 -0.427 . . . . 25.0 110.428 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 771' ' ' PHE . . . . . 0.479 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -61.59 -28.79 69.6 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 113.489 0.922 . . . . 25.0 113.489 173.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -65.79 -48.6 71.22 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 108.966 -0.753 . . . . 25.0 108.966 177.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -69.15 -24.1 64.04 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.539 0.685 . . . . 25.0 111.006 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 51.8 t -62.96 -31.62 72.77 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.546 -0.752 . . . . 25.0 109.908 177.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 15.9 mt -70.83 -33.81 71.05 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-O 121.64 0.733 . . . . 25.0 109.952 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 54.8 mt -60.83 -32.84 53.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 O-C-N 121.677 -0.64 . . . . 25.0 110.201 -176.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 41.2 m -63.14 -18.36 63.36 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.164 -0.471 . . . . 25.0 112.174 177.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 15.0 mt -97.04 -15.57 20.97 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 123.128 0.571 . . . . 25.0 111.169 178.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 119.12 22.4 3.52 Favored Glycine 0 C--O 1.218 -0.852 0 N-CA-C 115.371 0.908 . . . . 25.0 115.371 178.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -93.37 148.57 21.94 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.57 -1.27 . . . . 25.0 107.57 -177.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -101.45 31.05 3.91 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 122.396 1.093 . . . . 25.0 109.668 178.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 42.2 mt . . . . . 0 CA--C 1.504 -0.789 0 N-CA-C 106.914 -1.513 . . . . 25.0 106.914 -177.047 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.959 0 N-CA-C 109.292 -1.523 . . . . 25.0 109.292 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.91 -37.55 76.88 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 121.74 -0.859 . . . . 25.0 111.666 177.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.02 -40.21 97.05 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 110.392 -0.225 . . . . 25.0 110.392 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -88.78 -16.86 31.09 Favored 'General case' 0 C--O 1.249 1.052 0 N-CA-C 110.381 -0.229 . . . . 25.0 110.381 -178.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.55 -30.66 61.83 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 107.738 -1.208 . . . . 25.0 107.738 173.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -61.97 -30.84 71.2 Favored 'General case' 0 CA--C 1.569 1.68 0 CA-C-O 119.711 -0.185 . . . . 25.0 110.798 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -40.9 63.16 Favored 'General case' 0 C--O 1.203 -1.388 0 CA-C-O 123.064 1.411 . . . . 25.0 109.07 176.088 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 58.9 mt -61.72 -50.12 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.674 0 CA-C-N 114.059 -1.428 . . . . 25.0 110.491 -174.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 17.5 ptt? -62.43 -22.97 66.6 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 111.896 0.332 . . . . 25.0 111.896 -178.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 21.4 m -83.33 -19.14 36.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.43 -0.35 . . . . 25.0 111.632 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 70.0 mt -93.71 -47.77 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 CA-C-O 121.0 0.428 . . . . 25.0 110.064 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 19.3 m -74.94 -13.38 15.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 N-CA-C 113.056 0.761 . . . . 25.0 113.056 -177.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -156.25 70.65 5.03 Favored Pre-proline 0 C--O 1.243 0.742 0 CA-C-N 115.524 -0.762 . . . . 25.0 110.242 -175.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -72.87 -15.05 26.65 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 117.573 -1.152 . . . . 25.0 112.194 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.59 -4.77 59.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 25.0 110.459 -178.385 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 57.2 42.71 25.04 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 124.188 0.93 . . . . 25.0 111.561 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 80.8 mt -69.08 -25.22 64.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.065 -0.97 . . . . 25.0 108.945 176.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 88.3 18.87 54.59 Favored Glycine 0 C--O 1.224 -0.512 0 CA-C-N 116.25 -0.432 . . . . 25.0 112.642 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 15.6 m -142.39 153.86 18.16 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 CA-C-N 117.521 0.661 . . . . 25.0 110.322 -178.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 9.3 t -130.53 132.93 64.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 115.648 -0.706 . . . . 25.0 109.175 -178.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.4 161.11 13.94 Favored 'General case' 0 CA--C 1.502 -0.868 0 N-CA-C 109.039 -0.726 . . . . 25.0 109.039 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -51.82 -43.16 63.01 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-O 121.807 0.813 . . . . 25.0 110.141 178.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.86 -22.56 56.08 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 119.917 -0.713 . . . . 25.0 110.391 -174.543 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -71.9 -39.07 69.8 Favored 'General case' 0 C--O 1.212 -0.878 0 C-N-CA 120.319 -0.553 . . . . 25.0 110.93 -178.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 812' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -71.5 -29.78 65.2 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 118.576 -1.25 . . . . 25.0 110.052 177.045 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 16.3 mm -63.72 -28.53 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 121.199 0.523 . . . . 25.0 110.037 177.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -57.18 -53.39 58.62 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.098 -0.705 . . . . 25.0 109.098 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 3.7 p90 . . . . . 0 C--O 1.212 -0.878 0 C-N-CA 118.967 -1.093 . . . . 25.0 111.183 -176.957 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 19.2 ttm . . . . . 0 CA--C 1.505 -0.751 0 CA-C-O 120.452 0.168 . . . . 25.0 110.578 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -55.5 -38.36 69.07 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 116.394 -0.366 . . . . 25.0 110.603 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 92.9 p -66.39 -43.93 84.49 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 120.136 -0.626 . . . . 25.0 110.573 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -67.47 -37.78 83.43 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-O 121.389 0.614 . . . . 25.0 110.496 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -66.24 -21.18 66.29 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 122.917 0.487 . . . . 25.0 111.62 -177.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 50.5 mt -79.81 -42.34 22.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 108.42 -0.956 . . . . 25.0 108.42 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.49 -32.9 23.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.39 0.614 . . . . 25.0 112.52 -177.272 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.488 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -108.28 17.17 22.5 Favored 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 115.967 -0.56 . . . . 25.0 112.43 -176.006 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -67.35 -17.59 68.58 Favored Glycine 0 C--O 1.217 -0.932 0 N-CA-C 108.738 -1.745 . . . . 25.0 108.738 170.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -68.21 -30.78 69.94 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.497 0.719 . . . . 25.0 110.74 176.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -123.12 -155.34 0.65 Allowed 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 107.395 -1.335 . . . . 25.0 107.395 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 24.3 p-10 -127.2 12.58 7.11 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 121.541 -0.725 . . . . 25.0 109.292 175.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 842' ' ' TYR . . . . . 0.406 ' HB3' ' CE1' ' A' ' 867' ' ' TYR . 10.5 p90 -156.55 173.64 16.63 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 108.603 -0.888 . . . . 25.0 108.603 -176.538 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 843' ' ' ILE . . . . . 0.488 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.4 OUTLIER -131.6 152.06 36.49 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.759 0 N-CA-C 107.953 -1.129 . . . . 25.0 107.953 -176.855 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 37.8 p -99.96 161.75 13.41 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 107.563 -1.273 . . . . 25.0 107.563 175.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 75.9 mtm -59.65 -31.87 69.93 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.558 -0.746 . . . . 25.0 109.31 177.038 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -71.58 -44.46 64.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.554 -0.748 . . . . 25.0 112.644 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -65.08 -45.58 84.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.963 -0.562 . . . . 25.0 111.504 -177.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.1 pp -67.4 -26.35 66.4 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.353 -0.842 . . . . 25.0 110.69 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -67.76 -18.4 64.87 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.476 -0.765 . . . . 25.0 112.432 176.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 850' ' ' ARG . . . . . 0.401 ' HG2' ' HG2' ' A' ' 851' ' ' GLU . 0.9 OUTLIER -72.29 -26.25 61.9 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 178.422 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 851' ' ' GLU . . . . . 0.401 ' HG2' ' HG2' ' A' ' 850' ' ' ARG . 6.7 mm-40 -83.11 -42.47 17.35 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 115.522 -0.763 . . . . 25.0 110.886 -176.591 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.42 81.56 69.77 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 116.159 -0.473 . . . . 25.0 111.122 -177.187 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -53.86 -32.85 68.92 Favored 'Trans proline' 0 CA--C 1.551 1.337 0 N-CA-C 119.339 2.784 . . . . 25.0 119.339 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -77.4 -167.32 0.46 Allowed 'Trans proline' 0 C--N 1.364 1.394 0 C-N-CA 114.652 -3.099 . . . . 25.0 112.794 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -52.65 -16.49 0.96 Allowed 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 115.754 1.761 . . . . 25.0 115.754 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -49.65 -39.06 34.83 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 122.164 -0.335 . . . . 25.0 111.032 173.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -68.92 -39.17 79.81 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 112.15 0.426 . . . . 25.0 112.15 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -62.7 -43.76 97.98 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.54 -0.911 . . . . 25.0 108.54 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -64.88 -35.72 82.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.264 -0.88 . . . . 25.0 109.838 177.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 24.6 m -66.28 -44.41 83.62 Favored 'General case' 0 C--O 1.213 -0.827 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 22.3 mt -61.58 -40.76 87.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.892 -0.41 . . . . 25.0 109.892 178.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.69 -21.92 66.58 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.79 0.663 . . . . 25.0 112.79 179.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -107.64 -24.89 11.57 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 113.201 0.815 . . . . 25.0 113.201 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 864' ' ' MET . . . . . 0.428 ' HG3' ' HB2' ' A' ' 882' ' ' PHE . 7.0 ttm -66.59 154.7 39.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.522 0.677 . . . . 25.0 111.488 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -80.55 146.4 61.01 Favored Pre-proline 0 C--N 1.318 -0.802 0 N-CA-C 106.728 -1.582 . . . . 25.0 106.728 -177.034 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -75.79 149.29 33.38 Favored 'Trans proline' 0 CA--C 1.518 -0.277 0 CA-C-N 119.071 0.704 . . . . 25.0 111.481 176.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 867' ' ' TYR . . . . . 0.406 ' CE1' ' HB3' ' A' ' 842' ' ' TYR . 72.3 t80 -109.22 127.95 54.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.339 0.59 . . . . 25.0 112.352 -178.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 73.0 p -134.82 46.22 2.47 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.595 -0.891 . . . . 25.0 108.595 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -93.63 -169.33 38.6 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 111.539 -0.624 . . . . 25.0 111.539 -177.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -71.13 -28.53 18.78 Favored 'Trans proline' 0 C--O 1.214 -0.717 0 CA-C-N 119.038 1.419 . . . . 25.0 114.654 -178.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -99.27 38.42 1.41 Allowed 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 107.65 -1.241 . . . . 25.0 107.65 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 78.1 p -86.93 152.48 22.39 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.454 1.121 . . . . 25.0 113.677 -174.263 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 11.1 m -134.75 160.73 67.32 Favored Pre-proline 0 C--N 1.317 -0.815 0 N-CA-C 102.939 -2.986 . . . . 25.0 102.939 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -74.99 46.08 1.46 Allowed 'Trans proline' 0 CA--C 1.546 1.08 0 C-N-CA 121.367 1.378 . . . . 25.0 113.713 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -175.31 32.45 0.09 OUTLIER Glycine 0 C--N 1.323 -0.162 0 N-CA-C 109.385 -1.486 . . . . 25.0 109.385 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -100.51 142.97 31.24 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 113.996 -1.102 . . . . 25.0 111.261 -176.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 55.1 mt -133.99 138.18 45.25 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 124.154 0.982 . . . . 25.0 108.372 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -89.65 104.24 16.82 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 106.966 -1.494 . . . . 25.0 106.966 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -80.65 -32.46 36.13 Favored 'General case' 0 CA--C 1.485 -1.522 0 CA-C-N 114.835 -1.075 . . . . 25.0 109.438 -176.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 2.6 mtt -65.97 -30.44 71.01 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 108.826 -0.805 . . . . 25.0 108.826 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.5 t -85.38 -17.75 35.77 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 114.075 1.139 . . . . 25.0 114.075 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 882' ' ' PHE . . . . . 0.428 ' HB2' ' HG3' ' A' ' 864' ' ' MET . 8.1 t80 -58.49 -34.61 71.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.092 0.472 . . . . 25.0 111.911 -177.247 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 21.1 t -56.16 -29.11 60.34 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 112.612 0.597 . . . . 25.0 112.612 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 14.1 t -110.08 -2.08 17.18 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.046 1.128 . . . . 25.0 114.046 -178.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -156.16 129.39 8.11 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.626 -0.671 . . . . 25.0 112.407 -178.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 1.7 pt? . . . . . 0 C--N 1.323 -0.583 0 N-CA-C 106.659 -1.608 . . . . 25.0 106.659 175.549 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 CA--C 1.499 -1.001 0 CA-C-O 122.235 1.016 . . . . 25.0 108.631 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -58.73 -60.42 3.86 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 113.921 -1.49 . . . . 25.0 112.326 177.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.02 -26.32 60.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.267 -0.896 . . . . 25.0 111.303 178.686 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.28 -52.87 51.44 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.274 -0.421 . . . . 25.0 111.291 179.149 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -68.84 -33.28 73.55 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.167 -0.679 . . . . 25.0 109.167 -178.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -60.49 -46.79 88.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.254 0.549 . . . . 25.0 110.614 176.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 13.0 mtp85 -68.32 -40.38 81.66 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 116.472 -0.331 . . . . 25.0 110.32 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.52 -40.32 92.83 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.882 -0.327 . . . . 25.0 111.45 -178.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 45.9 m -65.16 -44.54 88.21 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 117.824 0.284 . . . . 25.0 110.869 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -41.05 96.33 Favored 'General case' 0 C--O 1.21 -0.985 0 N-CA-C 108.917 -0.772 . . . . 25.0 108.917 177.335 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.47 -33.56 73.09 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.783 0.66 . . . . 25.0 112.783 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -66.71 -34.42 77.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.089 0.471 . . . . 25.0 110.238 -178.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -90.93 -35.03 14.96 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 115.986 -0.552 . . . . 25.0 110.122 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 759' ' ' ASP . . . . . 0.455 ' HA ' HD21 ' A' ' 766' ' ' LEU . 50.5 t0 -92.99 70.62 4.6 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-O 122.204 1.002 . . . . 25.0 108.899 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -79.37 -0.77 34.04 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.693 -1.139 . . . . 25.0 110.565 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -90.36 -11.47 40.53 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 107.132 -1.433 . . . . 25.0 107.132 174.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 51.15 35.35 13.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.423 -1.262 . . . . 25.0 113.027 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 90.7 p -74.47 -20.82 59.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.778 -0.646 . . . . 25.0 110.518 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 96.55 0.44 60.91 Favored Glycine 0 C--O 1.243 0.658 0 N-CA-C 110.0 -1.24 . . . . 25.0 110.0 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 3.1 p -145.06 160.63 41.09 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 123.263 0.625 . . . . 25.0 110.963 -176.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 766' ' ' LEU . . . . . 0.472 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 22.5 mt -141.26 175.03 9.97 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 107.187 -1.412 . . . . 25.0 107.187 175.037 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -84.59 -179.41 51.38 Favored Glycine 0 C--O 1.241 0.593 0 N-CA-C 110.043 -1.223 . . . . 25.0 110.043 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.97 -31.43 19.63 Favored 'Trans proline' 0 CA--C 1.528 0.217 0 N-CA-C 115.153 1.174 . . . . 25.0 115.153 -175.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -84.88 -33.63 22.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.506 0.669 . . . . 25.0 109.611 -177.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 58.5 mp0 -63.93 -55.79 20.02 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.571 -0.74 . . . . 25.0 109.781 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 771' ' ' PHE . . . . . 0.472 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.4 OUTLIER -59.89 -31.08 69.47 Favored 'General case' 0 C--O 1.213 -0.835 0 N-CA-C 113.071 0.767 . . . . 25.0 113.071 173.791 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt -65.2 -45.97 82.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 119.033 0.833 . . . . 25.0 109.801 177.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.28 -25.66 62.54 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.176 0.512 . . . . 25.0 110.826 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 52.5 t -61.67 -36.19 80.13 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.624 -0.51 . . . . 25.0 109.624 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 11.9 mt -66.92 -33.03 74.7 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 121.471 0.653 . . . . 25.0 111.588 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 68.8 mt -58.55 -33.53 48.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-O 121.32 0.581 . . . . 25.0 110.046 -177.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 1.2 m -60.35 -23.59 64.38 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 122.97 0.508 . . . . 25.0 112.196 178.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 15.5 mt -93.92 -18.96 21.39 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 116.033 -0.53 . . . . 25.0 111.555 -178.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 118.4 36.76 0.9 Allowed Glycine 0 C--O 1.221 -0.687 0 CA-C-N 116.005 -0.543 . . . . 25.0 114.434 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -103.78 130.1 51.27 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.153 -0.616 . . . . 25.0 109.339 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -84.31 52.21 2.29 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.968 0.89 . . . . 25.0 110.795 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 44.5 mt . . . . . 0 C--N 1.327 -0.395 0 N-CA-C 108.209 -1.034 . . . . 25.0 108.209 -176.423 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.21 -1.365 0 N-CA-C 109.797 -1.321 . . . . 25.0 109.797 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.83 -33.56 70.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 118.387 1.094 . . . . 25.0 112.378 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.48 -36.77 84.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.683 0.278 . . . . 25.0 111.04 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -94.2 -17.37 22.78 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-O 121.899 0.856 . . . . 25.0 111.823 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -73.87 -32.42 63.62 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 107.203 -1.406 . . . . 25.0 107.203 174.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.65 -33.78 71.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.046 -0.524 . . . . 25.0 111.836 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 40.0 ptt85 -81.4 -30.06 33.73 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 108.273 -1.01 . . . . 25.0 108.273 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.448 HG23 ' CE2' ' A' ' 815' ' ' PHE . 40.4 mt -68.75 -51.06 49.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.916 -0.402 . . . . 25.0 109.916 -177.29 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 19.2 ptt? -60.04 -26.02 65.79 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.234 0.457 . . . . 25.0 112.234 -178.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 46.8 m -77.98 -20.33 52.83 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.211 0.448 . . . . 25.0 112.211 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 67.3 mt -93.72 -46.57 13.73 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.59 0 CA-C-O 121.348 0.594 . . . . 25.0 110.354 -176.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.42 ' HB ' HG13 ' A' ' 807' ' ' VAL . 32.8 m -74.83 -12.97 15.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.73 -0.668 . . . . 25.0 112.524 -176.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -150.56 70.69 8.93 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.582 -0.736 . . . . 25.0 111.242 -176.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -74.18 -13.44 23.4 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 117.178 -1.415 . . . . 25.0 112.373 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.38 -5.81 59.27 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.526 -0.307 . . . . 25.0 110.914 -178.246 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 57.49 45.82 18.98 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 123.712 0.805 . . . . 25.0 112.269 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 82.6 mt -70.93 -24.75 62.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.707 -1.133 . . . . 25.0 108.895 176.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.33 18.1 61.24 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.528 -0.76 . . . . 25.0 111.995 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 16.2 m -145.51 159.71 12.7 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 N-CA-C 109.179 -0.674 . . . . 25.0 109.179 -176.003 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 807' ' ' VAL . . . . . 0.42 HG13 ' HB ' ' A' ' 799' ' ' VAL . 12.0 t -131.33 132.0 63.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.842 -0.617 . . . . 25.0 109.882 -179.241 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 6.7 t -97.47 158.93 15.22 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 109.685 -0.487 . . . . 25.0 109.685 178.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -50.33 -43.53 53.92 Favored 'General case' 0 C--O 1.215 -0.742 0 CA-C-O 121.462 0.649 . . . . 25.0 111.214 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -21.53 60.96 Favored 'General case' 0 C--N 1.318 -0.791 0 O-C-N 121.335 -0.853 . . . . 25.0 110.101 -175.109 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -77.06 -41.12 43.66 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 119.775 -0.77 . . . . 25.0 110.749 -176.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.435 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.0 OUTLIER -67.49 -29.56 69.02 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 119.194 -1.002 . . . . 25.0 110.332 178.103 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 20.2 mm -63.91 -25.9 39.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 121.058 0.456 . . . . 25.0 110.354 177.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -60.33 -47.69 84.95 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.209 -0.596 . . . . 25.0 110.684 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 815' ' ' PHE . . . . . 0.448 ' CE2' HG23 ' A' ' 795' ' ' ILE . 3.9 p90 . . . . . 0 CA--C 1.505 -0.771 0 C-N-CA 119.644 -0.822 . . . . 25.0 112.588 -177.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.223 0 N-CA-C 109.676 -0.49 . . . . 25.0 109.676 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.33 -44.16 92.65 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 116.375 -0.375 . . . . 25.0 110.103 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 40.9 m -58.54 -44.11 89.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.945 0.402 . . . . 25.0 110.783 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -63.96 -44.63 92.2 Favored 'General case' 0 C--O 1.204 -1.333 0 N-CA-C 108.799 -0.815 . . . . 25.0 108.799 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -57.87 -31.93 67.19 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.66 0.615 . . . . 25.0 112.66 -176.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 26.0 mt -72.98 -42.54 59.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 N-CA-C 108.678 -0.86 . . . . 25.0 108.678 -177.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.36 -22.85 30.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.439 0.637 . . . . 25.0 112.163 -177.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.464 ' HB2' ' CD1' ' A' ' 843' ' ' ILE . . . -84.92 -13.89 49.39 Favored 'General case' 0 C--O 1.206 -1.2 0 N-CA-C 113.124 0.787 . . . . 25.0 113.124 -178.211 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -47.38 -27.61 4.16 Favored Glycine 0 C--O 1.227 -0.284 0 N-CA-C 116.719 1.448 . . . . 25.0 116.719 -175.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -73.63 -14.34 61.16 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 117.795 0.798 . . . . 25.0 112.68 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -137.48 -172.71 3.29 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 123.162 0.585 . . . . 25.0 109.436 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -109.65 14.46 23.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 121.813 -0.554 . . . . 25.0 111.245 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -159.92 178.76 9.41 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.541 0.21 . . . . 25.0 110.779 -176.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 843' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 837' ' ' ALA . 0.4 OUTLIER -133.58 152.08 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 N-CA-C 108.175 -1.046 . . . . 25.0 108.175 -177.191 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 76.4 p -104.52 164.63 11.61 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 107.799 -1.186 . . . . 25.0 107.799 171.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.93 -35.63 69.28 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.173 -1.376 . . . . 25.0 111.378 177.223 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -73.35 -42.3 62.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.55 -0.75 . . . . 25.0 110.919 -179.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -61.05 -46.6 90.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.831 -0.622 . . . . 25.0 112.032 -178.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.0 pp -71.11 -26.44 63.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.755 0.312 . . . . 25.0 111.334 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -67.36 -12.97 61.52 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.7 -0.625 . . . . 25.0 111.221 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -62.91 -31.34 72.39 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 109.507 -0.553 . . . . 25.0 109.507 175.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -90.33 -36.7 14.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.012 -0.54 . . . . 25.0 111.728 -174.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.77 77.58 76.08 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.047 -0.524 . . . . 25.0 110.156 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -59.71 -28.7 87.95 Favored 'Trans proline' 0 CA--C 1.554 1.517 0 N-CA-C 119.132 2.705 . . . . 25.0 119.132 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -77.38 -161.03 0.13 Allowed 'Trans proline' 0 C--N 1.363 1.33 0 C-N-CA 114.246 -3.37 . . . . 25.0 112.68 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -55.35 -16.83 3.88 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.304 1.224 . . . . 25.0 114.304 -178.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -51.77 -40.62 60.64 Favored 'General case' 0 N--CA 1.447 -0.611 0 O-C-N 122.052 -0.405 . . . . 25.0 111.842 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.29 97.74 Favored 'General case' 0 C--O 1.206 -1.202 0 C-N-CA 120.919 -0.312 . . . . 25.0 110.475 178.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -68.6 -38.18 80.39 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.014 0.435 . . . . 25.0 110.597 -176.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -66.51 -31.37 72.05 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 175.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 60.1 m -72.89 -44.47 61.25 Favored 'General case' 0 C--O 1.211 -0.969 0 N-CA-C 109.691 -0.485 . . . . 25.0 109.691 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 17.4 mt -60.5 -38.59 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 N-CA-C 109.823 -0.436 . . . . 25.0 109.823 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -63.92 -26.21 68.49 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.569 0.581 . . . . 25.0 112.569 178.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -105.92 -19.39 13.75 Favored 'General case' 0 C--O 1.212 -0.885 0 N-CA-C 113.554 0.946 . . . . 25.0 113.554 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 10.7 ttm -66.35 157.47 31.71 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 108.354 -0.98 . . . . 25.0 108.354 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -84.88 143.02 39.61 Favored Pre-proline 0 C--N 1.314 -0.95 0 N-CA-C 107.638 -1.245 . . . . 25.0 107.638 -176.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -74.69 148.32 36.64 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 CA-C-O 121.584 0.577 . . . . 25.0 112.594 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -111.59 127.33 55.7 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.422 -0.808 . . . . 25.0 113.086 -178.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 2.4 m -131.24 54.75 1.89 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.628 0.728 . . . . 25.0 109.582 178.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -100.94 -168.97 28.4 Favored Glycine 0 CA--C 1.521 0.43 0 CA-C-N 115.736 -0.665 . . . . 25.0 112.909 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -70.52 -28.51 21.5 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 CA-C-N 118.785 1.293 . . . . 25.0 114.626 -178.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -95.52 18.62 12.39 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.58 0.705 . . . . 25.0 109.845 -177.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 81.2 p -72.52 148.04 45.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 122.666 1.222 . . . . 25.0 113.731 -172.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 15.6 m -133.21 161.04 66.17 Favored Pre-proline 0 C--N 1.32 -0.688 0 N-CA-C 105.946 -1.872 . . . . 25.0 105.946 -178.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -60.24 91.36 0.09 OUTLIER 'Trans proline' 0 C--N 1.353 0.77 0 N-CA-C 114.949 1.096 . . . . 25.0 114.949 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 115.52 11.59 10.36 Favored Glycine 0 C--O 1.21 -1.403 0 CA-C-N 115.12 -0.946 . . . . 25.0 113.599 177.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -59.16 146.78 37.67 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 123.836 0.855 . . . . 25.0 109.385 177.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 11.6 mt -133.24 138.31 46.43 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.847 -0.615 . . . . 25.0 109.67 -175.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -90.0 111.07 22.04 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 105.344 -2.095 . . . . 25.0 105.344 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -80.38 -34.64 36.23 Favored 'General case' 0 CA--C 1.505 -0.761 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 -177.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 5.1 mmm -63.51 -29.04 70.37 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.439 0.637 . . . . 25.0 110.01 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 3.3 t -88.03 -12.99 42.75 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.653 0.982 . . . . 25.0 113.653 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -56.26 -43.91 79.19 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.268 0.84 . . . . 25.0 113.268 -177.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 50.8 m -64.36 -8.1 11.99 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 114.122 1.156 . . . . 25.0 114.122 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 32.5 p -109.25 -17.43 13.83 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.214 0.82 . . . . 25.0 113.214 178.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -158.03 144.33 17.45 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.782 0.66 . . . . 25.0 112.782 -177.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 C--N 1.328 -0.346 0 N-CA-C 105.746 -1.946 . . . . 25.0 105.746 177.177 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 . . . . . 0 C--O 1.224 -0.249 0 N-CA-C 110.342 -0.244 . . . . 25.0 110.342 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -61.39 -56.67 17.71 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.593 -0.443 . . . . 25.0 110.508 176.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 2.6 ptm -58.28 -26.17 62.67 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 119.98 -0.688 . . . . 25.0 111.073 179.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.62 -50.46 64.97 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 123.413 0.446 . . . . 25.0 111.173 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -72.44 -31.74 65.72 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 109.309 -0.626 . . . . 25.0 109.309 -178.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -62.15 -50.71 70.78 Favored 'General case' 0 C--O 1.243 0.735 0 N-CA-C 109.928 -0.397 . . . . 25.0 109.928 175.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -65.57 -40.99 93.38 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 120.373 -0.531 . . . . 25.0 111.645 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -70.51 -37.4 74.15 Favored 'General case' 0 C--O 1.21 -0.982 0 O-C-N 123.332 0.395 . . . . 25.0 111.117 -176.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 43.0 m -68.96 -42.36 76.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 119.038 0.835 . . . . 25.0 110.56 178.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.45 -44.55 84.84 Favored 'General case' 0 C--O 1.209 -1.038 0 N-CA-C 108.276 -1.009 . . . . 25.0 108.276 176.221 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.03 -31.23 65.98 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 115.584 1.698 . . . . 25.0 115.584 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -69.13 -30.77 69.11 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.186 -1.042 . . . . 25.0 108.186 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -91.31 -34.68 14.82 Favored 'General case' 0 CA--C 1.559 1.32 0 N-CA-C 108.373 -0.973 . . . . 25.0 108.373 -178.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 759' ' ' ASP . . . . . 0.445 ' HA ' HD21 ' A' ' 766' ' ' LEU . 48.3 t0 -92.93 71.88 4.73 Favored 'General case' 0 C--O 1.207 -1.156 0 C-N-CA 123.405 0.682 . . . . 25.0 109.494 -179.271 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -80.8 -2.09 45.73 Favored 'General case' 0 CA--C 1.496 -1.126 0 CA-C-N 114.358 -1.292 . . . . 25.0 111.533 -178.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -92.69 -16.19 25.81 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 108.426 -0.954 . . . . 25.0 108.426 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 61.17 34.66 18.81 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 113.996 -1.457 . . . . 25.0 112.691 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 69.8 m -74.38 -19.76 60.32 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.58 -0.282 . . . . 25.0 110.887 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 92.77 -0.79 70.51 Favored Glycine 0 C--O 1.243 0.678 0 N-CA-C 109.05 -1.62 . . . . 25.0 109.05 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 17.9 p -146.53 157.49 43.75 Favored 'General case' 0 N--CA 1.438 -1.071 0 O-C-N 124.444 0.732 . . . . 25.0 110.638 -174.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 766' ' ' LEU . . . . . 0.445 HD21 ' HA ' ' A' ' 759' ' ' ASP . 17.0 mt -136.92 170.22 16.46 Favored 'General case' 0 CA--C 1.492 -1.274 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 177.498 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.63 175.53 54.99 Favored Glycine 0 C--O 1.243 0.693 0 N-CA-C 110.463 -1.055 . . . . 25.0 110.463 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -70.12 -26.82 25.47 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 121.222 1.281 . . . . 25.0 112.274 -176.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -82.42 -38.99 23.26 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.349 -0.611 . . . . 25.0 109.349 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -67.65 -48.77 65.74 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 116.475 -0.329 . . . . 25.0 110.464 -177.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 771' ' ' PHE . . . . . 0.402 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -64.09 -30.53 71.6 Favored 'General case' 0 C--O 1.202 -1.43 0 C-N-CA 119.333 -0.947 . . . . 25.0 111.65 173.71 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -59.8 -46.04 90.45 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 119.363 0.983 . . . . 25.0 109.004 177.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -76.5 -23.17 53.75 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.49 -0.777 . . . . 25.0 111.987 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 42.4 t -61.89 -39.56 92.36 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 109.487 -0.56 . . . . 25.0 109.487 177.056 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 18.2 mt -63.76 -29.47 70.67 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-O 121.506 0.67 . . . . 25.0 111.982 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 66.3 mt -61.0 -33.21 54.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.365 -0.379 . . . . 25.0 110.11 -176.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 80.5 p -67.88 -17.74 64.58 Favored 'General case' 0 C--O 1.211 -0.942 0 C-N-CA 120.368 -0.533 . . . . 25.0 112.27 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 13.4 mt -91.85 -14.36 29.86 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.642 0.734 . . . . 25.0 109.912 177.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 117.5 23.55 3.72 Favored Glycine 0 C--O 1.226 -0.394 0 N-CA-C 115.019 0.768 . . . . 25.0 115.019 177.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -94.41 137.01 34.06 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.552 -0.969 . . . . 25.0 110.193 -176.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -88.13 46.39 1.38 Allowed 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 121.932 0.872 . . . . 25.0 113.32 -178.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 14.0 mt . . . . . 0 N--CA 1.474 0.749 0 CA-C-O 122.458 1.123 . . . . 25.0 108.393 -177.086 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.844 0 N-CA-C 110.741 -0.943 . . . . 25.0 110.741 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -59.74 -32.49 70.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.524 -0.986 . . . . 25.0 111.579 178.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -66.01 -35.6 81.0 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-O 120.795 0.331 . . . . 25.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -90.93 -17.05 27.05 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.921 -0.487 . . . . 25.0 109.976 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -79.38 -34.43 41.96 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 108.944 -0.761 . . . . 25.0 108.944 175.257 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.0 -32.32 69.59 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 122.025 -0.422 . . . . 25.0 112.057 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 4.9 ptt85 -83.58 -28.08 28.79 Favored 'General case' 0 C--O 1.211 -0.938 0 N-CA-C 109.88 -0.415 . . . . 25.0 109.88 177.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 47.5 mt -68.29 -47.93 75.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 O-C-N 122.098 -0.376 . . . . 25.0 110.318 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 12.4 ptt? -60.1 -27.55 67.11 Favored 'General case' 0 C--O 1.208 -1.113 0 O-C-N 121.997 -0.439 . . . . 25.0 111.74 -177.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 52.3 m -78.66 -16.04 57.78 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.438 -0.505 . . . . 25.0 111.735 -178.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 77.6 mt -92.65 -44.64 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.036 0 N-CA-C 109.455 -0.572 . . . . 25.0 109.455 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.457 ' HB ' HG13 ' A' ' 807' ' ' VAL . 22.3 m -82.76 -12.36 12.15 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 O-C-N 123.998 0.811 . . . . 25.0 111.704 -174.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -155.31 66.02 4.65 Favored Pre-proline 0 CA--C 1.557 1.214 0 CA-C-O 122.054 0.931 . . . . 25.0 111.431 -176.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -71.26 -13.96 31.13 Favored 'Trans proline' 0 CA--C 1.542 0.895 0 C-N-CA 115.202 -2.732 . . . . 25.0 112.867 178.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.24 -8.88 59.83 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 123.435 0.459 . . . . 25.0 110.151 -179.472 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 46.4 mmm-85 59.55 41.87 18.35 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 123.683 0.793 . . . . 25.0 111.748 178.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 82.5 mt -67.77 -25.58 65.68 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.067 0.947 . . . . 25.0 109.172 176.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 86.91 18.15 58.47 Favored Glycine 0 N--CA 1.436 -1.335 0 CA-C-N 115.068 -0.969 . . . . 25.0 112.218 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 16.3 m -143.93 154.56 15.71 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.6 0 N-CA-C 107.384 -1.339 . . . . 25.0 107.384 -176.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 807' ' ' VAL . . . . . 0.457 HG13 ' HB ' ' A' ' 799' ' ' VAL . 17.8 t -132.86 133.49 58.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 115.349 -0.842 . . . . 25.0 108.926 -177.428 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.31 158.57 15.39 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 108.177 -1.045 . . . . 25.0 108.177 -178.721 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -50.57 -43.89 56.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.918 0.866 . . . . 25.0 112.67 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.08 -29.73 70.11 Favored 'General case' 0 C--O 1.211 -0.931 0 CA-C-N 115.857 -0.61 . . . . 25.0 110.934 -178.115 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -72.35 -41.73 66.1 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 119.619 -0.833 . . . . 25.0 112.187 -174.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.441 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 0.6 OUTLIER -66.86 -32.61 73.99 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 118.714 -1.194 . . . . 25.0 110.107 176.269 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 24.2 mm -64.55 -30.48 50.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 108.566 -0.902 . . . . 25.0 108.566 176.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -59.52 -39.98 85.64 Favored 'General case' 0 C--N 1.312 -1.047 0 C-N-CA 120.38 -0.528 . . . . 25.0 110.902 -176.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 815' ' ' PHE . . . . . 0.441 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 2.6 p90 . . . . . 0 C--N 1.32 -0.694 0 C-N-CA 119.762 -0.775 . . . . 25.0 112.499 176.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 830' ' ' MET . . . . . 0.409 ' SD ' ' HB2' ' A' ' 883' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.207 -1.167 0 CA-C-O 120.792 0.33 . . . . 25.0 111.787 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -57.23 -39.39 75.42 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.973 -0.558 . . . . 25.0 110.597 177.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 97.6 p -64.6 -45.48 86.76 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.518 -0.739 . . . . 25.0 110.703 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -64.51 -41.1 96.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 118.134 0.425 . . . . 25.0 110.378 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -57.8 -32.27 67.38 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-O 121.432 0.634 . . . . 25.0 111.882 -175.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 69.8 mt -65.12 -42.26 93.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 108.763 -0.828 . . . . 25.0 108.763 -178.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.22 -24.68 23.2 Favored 'General case' 0 C--O 1.211 -0.96 0 C-N-CA 120.666 -0.414 . . . . 25.0 111.851 -177.523 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.613 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -89.03 -5.97 57.52 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 112.838 0.681 . . . . 25.0 112.838 -175.744 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -55.04 -27.87 46.95 Favored Glycine 0 C--N 1.338 0.658 0 N-CA-C 115.612 1.005 . . . . 25.0 115.612 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -71.64 -16.13 62.26 Favored 'General case' 0 C--O 1.211 -0.946 0 O-C-N 121.792 -0.828 . . . . 25.0 111.63 176.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -130.85 -159.84 1.0 Allowed 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 121.053 0.454 . . . . 25.0 110.429 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -125.69 14.42 8.09 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 172.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -154.05 176.84 11.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.471 -0.786 . . . . 25.0 110.163 -178.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 843' ' ' ILE . . . . . 0.613 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.3 OUTLIER -137.38 152.97 28.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.309 -0.997 . . . . 25.0 108.309 -175.569 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 34.6 p -103.47 162.17 13.26 Favored 'General case' 0 C--N 1.314 -0.951 0 O-C-N 121.048 -1.032 . . . . 25.0 111.9 173.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 75.6 mtm -59.81 -29.75 68.44 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 114.556 -1.202 . . . . 25.0 111.099 176.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -79.01 -39.8 33.11 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 122.969 1.366 . . . . 25.0 110.52 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -64.78 -47.05 79.54 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 114.812 -1.086 . . . . 25.0 112.89 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.4 pp -68.48 -17.1 64.11 Favored 'General case' 0 CA--C 1.55 0.97 0 O-C-N 121.25 -0.906 . . . . 25.0 109.572 -178.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.61 -16.62 63.42 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 109.85 -0.426 . . . . 25.0 109.85 177.202 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -75.21 -24.84 57.8 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.2 0.454 . . . . 25.0 110.168 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -82.65 -46.69 12.94 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 115.433 -0.803 . . . . 25.0 110.436 -178.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.55 84.25 56.04 Favored Pre-proline 0 CA--C 1.546 0.801 0 CA-C-N 115.476 -0.784 . . . . 25.0 109.348 -177.129 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -63.22 -23.11 72.73 Favored 'Trans proline' 0 CA--C 1.55 1.288 0 N-CA-C 118.589 2.496 . . . . 25.0 118.589 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -78.23 -168.62 0.63 Allowed 'Trans proline' 0 C--N 1.365 1.422 1 C-N-CA 112.794 -4.337 . . . . 25.0 112.051 176.342 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -50.33 -16.5 0.34 Allowed 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 116.037 1.866 . . . . 25.0 116.037 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -53.31 -38.32 63.07 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 121.921 -0.487 . . . . 25.0 111.426 175.056 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.88 -38.87 92.7 Favored 'General case' 0 C--O 1.21 -0.978 0 C-N-CA 120.462 -0.495 . . . . 25.0 111.895 174.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -68.1 -39.28 82.86 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.868 0.842 . . . . 25.0 109.086 -177.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -67.47 -30.65 70.42 Favored 'General case' 0 CA--C 1.518 -0.285 0 O-C-N 121.885 -0.51 . . . . 25.0 110.606 175.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 51.8 m -73.24 -45.41 56.14 Favored 'General case' 0 C--O 1.211 -0.937 0 N-CA-C 108.48 -0.933 . . . . 25.0 108.48 178.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 21.6 mt -60.45 -38.5 78.16 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.134 0 CA-C-N 118.605 0.638 . . . . 25.0 110.252 178.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.93 -8.08 20.38 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 114.053 1.131 . . . . 25.0 114.053 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -121.53 -37.12 2.94 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.994 -0.441 . . . . 25.0 111.796 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 864' ' ' MET . . . . . 0.455 ' HG3' ' HB2' ' A' ' 882' ' ' PHE . 41.7 ttm -61.63 141.34 57.87 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 122.027 0.918 . . . . 25.0 113.031 -175.771 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -71.07 141.68 86.77 Favored Pre-proline 0 C--N 1.317 -0.832 0 CA-C-N 115.227 -0.897 . . . . 25.0 112.037 -172.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -73.46 151.79 48.2 Favored 'Trans proline' 0 CA--C 1.513 -0.544 0 CA-C-O 121.87 0.696 . . . . 25.0 112.836 176.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -109.45 142.3 40.65 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.586 -0.734 . . . . 25.0 111.303 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 9.9 t -141.88 135.0 29.06 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 103.276 -2.861 . . . . 25.0 103.276 173.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 173.09 -174.24 45.86 Favored Glycine 0 C--N 1.34 0.769 0 C-N-CA 119.851 -1.166 . . . . 25.0 110.549 -176.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -67.94 -31.64 30.53 Favored 'Trans proline' 0 C--N 1.347 0.492 0 CA-C-N 119.276 1.538 . . . . 25.0 114.803 -178.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -98.53 20.17 13.27 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 122.287 1.042 . . . . 25.0 109.339 -176.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 53.8 p -76.42 156.31 33.25 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 123.718 1.723 . . . . 25.0 114.602 -174.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 3.9 m -138.49 161.19 60.25 Favored Pre-proline 0 C--N 1.308 -1.214 0 N-CA-C 103.587 -2.745 . . . . 25.0 103.587 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -71.7 12.24 0.57 Allowed 'Trans proline' 0 C--N 1.369 1.617 0 N-CA-C 114.975 1.106 . . . . 25.0 114.975 -176.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -138.65 36.52 1.89 Allowed Glycine 0 C--O 1.218 -0.861 0 N-CA-C 109.815 -1.314 . . . . 25.0 109.815 174.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -95.04 139.82 30.86 Favored 'General case' 0 C--O 1.259 1.574 0 C-N-CA 123.09 0.556 . . . . 25.0 109.749 -178.016 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 57.5 mt -134.95 140.53 45.8 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 107.382 -1.34 . . . . 25.0 107.382 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -89.7 101.21 13.9 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 106.531 -1.655 . . . . 25.0 106.531 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -69.63 -38.05 77.03 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-N 115.158 -0.928 . . . . 25.0 109.291 -177.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 1.1 mmt -62.54 -26.95 68.83 Favored 'General case' 0 C--N 1.316 -0.853 0 O-C-N 121.281 -0.887 . . . . 25.0 109.26 -178.009 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 8.9 t -79.51 -28.71 41.39 Favored 'General case' 0 C--N 1.346 0.418 0 N-CA-C 113.899 1.074 . . . . 25.0 113.899 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 882' ' ' PHE . . . . . 0.455 ' HB2' ' HG3' ' A' ' 864' ' ' MET . 14.8 t80 -60.08 -36.56 77.65 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 113.661 0.986 . . . . 25.0 113.661 -177.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 883' ' ' SER . . . . . 0.409 ' HB2' ' SD ' ' A' ' 830' ' ' MET . 22.3 t -58.86 -30.2 67.54 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.795 -0.762 . . . . 25.0 112.165 176.744 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 33.9 p -99.54 -18.23 17.49 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 121.415 -0.803 . . . . 25.0 113.138 -176.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -154.52 137.37 15.36 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 112.829 0.677 . . . . 25.0 112.829 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.323 -0.553 0 N-CA-C 104.163 -2.532 . . . . 25.0 104.163 176.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 C--O 1.217 -0.651 0 N-CA-C 110.583 -0.155 . . . . 25.0 110.583 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -74.25 -56.73 4.55 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 109.477 -0.564 . . . . 25.0 109.477 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 19.4 ptp -57.72 -25.11 59.92 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 119.703 -0.799 . . . . 25.0 110.917 178.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.57 -54.21 43.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.873 -0.603 . . . . 25.0 109.995 178.326 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -72.55 -33.59 66.93 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.856 -0.424 . . . . 25.0 109.856 -177.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -60.34 -43.11 96.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.056 0.455 . . . . 25.0 110.567 176.158 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 2.4 mtp85 -70.87 -41.85 70.84 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.611 -0.515 . . . . 25.0 109.611 178.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.14 93.51 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 113.234 0.828 . . . . 25.0 113.234 -178.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 10.3 t -68.56 -41.88 79.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 118.316 0.507 . . . . 25.0 109.916 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -40.57 94.61 Favored 'General case' 0 C--O 1.206 -1.209 0 N-CA-C 108.032 -1.099 . . . . 25.0 108.032 177.64 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.47 -29.21 65.7 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.75 1.018 . . . . 25.0 113.75 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -71.52 -35.31 70.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.237 0.541 . . . . 25.0 110.307 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -90.68 -37.53 13.68 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 115.949 -0.568 . . . . 25.0 109.982 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -91.67 70.49 5.77 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -74.19 -5.87 44.45 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.925 -1.034 . . . . 25.0 110.742 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -88.63 -14.21 38.01 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.425 -0.954 . . . . 25.0 108.425 177.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 41.1 m80 54.03 36.89 25.67 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 114.458 -1.247 . . . . 25.0 113.03 -179.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 89.9 p -72.62 -21.77 61.06 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.74 -0.663 . . . . 25.0 109.91 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 97.9 -1.8 59.74 Favored Glycine 0 C--O 1.244 0.77 0 N-CA-C 111.204 -0.758 . . . . 25.0 111.204 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 3.9 p -146.43 161.9 39.41 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 123.216 0.607 . . . . 25.0 110.779 -176.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 766' ' ' LEU . . . . . 0.47 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 20.0 mt -143.29 173.41 11.62 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.841 -0.8 . . . . 25.0 108.841 176.595 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -78.49 175.07 54.99 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.897 -0.881 . . . . 25.0 110.897 -179.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -65.02 -34.85 45.65 Favored 'Trans proline' 0 C--O 1.215 -0.634 0 C-N-CA 121.683 1.589 . . . . 25.0 113.52 -177.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -81.87 -35.5 29.22 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 121.044 -0.262 . . . . 25.0 111.113 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 770' ' ' GLU . . . . . 0.4 ' HB2' ' HB3' ' A' ' 766' ' ' LEU . 74.7 mm-40 -64.26 -51.46 63.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.08 0.467 . . . . 25.0 110.041 -178.63 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 771' ' ' PHE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.2 OUTLIER -63.82 -25.4 68.16 Favored 'General case' 0 C--O 1.215 -0.763 0 O-C-N 121.536 -0.728 . . . . 25.0 112.778 174.599 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -70.66 -42.3 70.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 118.377 0.535 . . . . 25.0 110.172 177.158 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -73.06 -23.75 60.6 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.919 0.866 . . . . 25.0 110.571 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 14.0 t -64.74 -31.04 72.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.524 -0.762 . . . . 25.0 109.322 175.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 775' ' ' LEU . . . . . 0.431 ' HB3' ' CG ' ' A' ' 780' ' ' TYR . 14.7 mt -72.3 -33.84 67.71 Favored 'General case' 0 CA--C 1.51 -0.593 0 O-C-N 121.906 -0.496 . . . . 25.0 110.404 177.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.5 mt -58.31 -34.87 51.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.34 -0.615 . . . . 25.0 109.34 -178.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 49.8 m -62.92 -18.11 62.67 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 19.2 mt -94.61 -24.19 17.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.137 0.494 . . . . 25.0 109.946 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 126.17 26.66 1.19 Allowed Glycine 0 C--O 1.224 -0.525 0 N-CA-C 115.023 0.769 . . . . 25.0 115.023 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 780' ' ' TYR . . . . . 0.431 ' CG ' ' HB3' ' A' ' 775' ' ' LEU . 10.4 m-85 -94.44 135.13 36.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 117.93 0.865 . . . . 25.0 108.751 -178.521 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -88.07 48.95 1.71 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 122.277 1.037 . . . . 25.0 110.557 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 41.5 mt . . . . . 0 N--CA 1.469 0.501 0 CA-C-N 115.398 -0.819 . . . . 25.0 109.565 -175.24 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -1.298 0 N-CA-C 110.135 -1.186 . . . . 25.0 110.135 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.88 -29.01 70.24 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 120.987 -1.302 . . . . 25.0 112.608 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -65.23 -44.19 89.02 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.558 -0.534 . . . . 25.0 109.558 178.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -85.49 -19.06 31.79 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-O 122.152 0.977 . . . . 25.0 109.947 -175.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -77.87 -29.23 50.23 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 175.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -62.12 -34.97 77.33 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 120.896 0.379 . . . . 25.0 110.91 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.38 -32.45 48.89 Favored 'General case' 0 C--O 1.215 -0.745 0 N-CA-C 107.758 -1.201 . . . . 25.0 107.758 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 42.8 mt -66.75 -50.72 63.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.866 -0.42 . . . . 25.0 109.866 -176.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 20.1 ptt? -60.68 -26.14 66.89 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-O 120.865 0.364 . . . . 25.0 111.621 -178.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 44.1 m -78.87 -19.01 52.97 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.484 0.55 . . . . 25.0 112.484 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 67.3 mt -96.38 -45.79 12.97 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.634 0 CA-C-O 121.181 0.515 . . . . 25.0 110.734 -177.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.408 ' HB ' HG13 ' A' ' 807' ' ' VAL . 28.5 m -76.6 -14.67 14.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 120.948 0.404 . . . . 25.0 111.769 -177.074 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -150.95 68.89 8.3 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.455 -0.793 . . . . 25.0 111.882 -176.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -72.55 -14.52 27.6 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 118.013 -0.858 . . . . 25.0 112.064 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -86.66 -6.03 58.96 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 116.487 -0.324 . . . . 25.0 111.232 -178.24 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 57.98 46.12 17.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.765 0.793 . . . . 25.0 111.618 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 85.8 mt -72.14 -23.09 61.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.471 -1.241 . . . . 25.0 109.093 176.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.01 19.06 59.92 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.656 -0.702 . . . . 25.0 111.62 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 19.9 m -144.22 156.57 15.36 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 CA-C-O 121.179 0.514 . . . . 25.0 110.166 -176.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 807' ' ' VAL . . . . . 0.408 HG13 ' HB ' ' A' ' 799' ' ' VAL . 11.9 t -130.76 131.82 64.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.17 -0.678 . . . . 25.0 109.17 179.101 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 9.0 t -99.01 160.06 14.52 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.057 -0.349 . . . . 25.0 110.057 178.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -49.91 -44.39 50.16 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-O 121.502 0.667 . . . . 25.0 111.034 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.38 -20.85 60.65 Favored 'General case' 0 C--N 1.315 -0.899 0 O-C-N 121.48 -0.762 . . . . 25.0 111.0 -175.024 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -76.52 -40.35 50.29 Favored 'General case' 0 C--O 1.216 -0.679 0 C-N-CA 119.997 -0.681 . . . . 25.0 110.678 -177.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.441 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 0.8 OUTLIER -69.5 -30.54 68.43 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 119.102 -1.039 . . . . 25.0 109.787 178.48 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 20.9 mm -64.13 -26.96 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 121.355 0.597 . . . . 25.0 110.282 176.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -63.19 -43.44 98.17 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 121.566 -0.709 . . . . 25.0 109.806 -179.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 815' ' ' PHE . . . . . 0.441 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.1 p90 . . . . . 0 C--O 1.218 -0.577 0 C-N-CA 119.598 -0.841 . . . . 25.0 112.256 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.378 0 CA-C-O 120.672 0.273 . . . . 25.0 110.435 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.48 -36.44 78.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.175 -0.466 . . . . 25.0 110.092 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 6.1 t -65.76 -42.67 90.6 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.041 0.386 . . . . 25.0 112.041 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -66.83 -30.28 70.42 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 120.993 -1.067 . . . . 25.0 110.295 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -63.45 -20.59 65.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.957 -0.565 . . . . 25.0 111.53 -179.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 71.2 mt -73.74 -49.03 37.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 108.544 -0.91 . . . . 25.0 108.544 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.93 -27.83 26.29 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.041 -0.663 . . . . 25.0 111.168 -172.478 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.867 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -94.76 8.09 43.7 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 112.373 0.508 . . . . 25.0 112.373 -178.337 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -66.29 -22.71 71.24 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 107.718 -2.153 . . . . 25.0 107.718 172.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -64.24 -28.61 69.85 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.611 0.244 . . . . 25.0 110.877 175.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -129.83 -150.91 0.45 Allowed 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 109.098 -0.705 . . . . 25.0 109.098 -178.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -130.11 15.02 5.71 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 109.274 -0.639 . . . . 25.0 109.274 173.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 842' ' ' TYR . . . . . 0.412 ' HB3' ' CE1' ' A' ' 867' ' ' TYR . 9.2 p90 -158.58 178.76 9.78 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.409 -1.33 . . . . 25.0 107.409 -177.01 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 843' ' ' ILE . . . . . 0.867 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.4 OUTLIER -134.74 153.38 34.83 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.817 0 N-CA-C 108.815 -0.809 . . . . 25.0 108.815 -177.91 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 76.4 p -104.91 162.17 13.57 Favored 'General case' 0 CA--C 1.494 -1.176 0 N-CA-C 108.097 -1.075 . . . . 25.0 108.097 175.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 72.9 mtm -59.1 -33.71 71.16 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.003 -0.999 . . . . 25.0 110.082 176.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -73.47 -41.08 63.6 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.786 -0.643 . . . . 25.0 110.457 -178.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -67.41 -48.02 68.55 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.787 -0.642 . . . . 25.0 111.234 -177.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.6 pp -64.33 -26.19 68.37 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.89 -0.724 . . . . 25.0 110.607 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -71.79 -11.48 60.83 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.714 -0.616 . . . . 25.0 112.251 178.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -68.79 -30.0 68.48 Favored 'General case' 0 C--O 1.22 -0.485 0 O-C-N 121.318 -0.864 . . . . 25.0 108.867 176.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -83.96 -39.49 19.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.595 0.712 . . . . 25.0 110.84 -175.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.52 80.14 72.49 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.545 -0.752 . . . . 25.0 109.5 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -61.08 -27.66 84.67 Favored 'Trans proline' 0 CA--C 1.559 1.729 0 N-CA-C 119.214 2.736 . . . . 25.0 119.214 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -78.72 -159.74 0.11 Allowed 'Trans proline' 0 C--N 1.364 1.354 0 C-N-CA 113.962 -3.559 . . . . 25.0 112.84 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.81 -20.34 2.15 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 114.468 1.284 . . . . 25.0 114.468 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -53.55 -39.41 64.71 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.471 0.545 . . . . 25.0 112.471 176.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.96 -38.76 92.04 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-O 120.899 0.381 . . . . 25.0 110.824 178.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -67.68 -37.8 82.84 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.069 0.461 . . . . 25.0 109.839 -177.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -66.94 -31.71 72.47 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.353 -0.61 . . . . 25.0 109.353 175.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 63.2 m -71.43 -43.04 67.46 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 110.056 -0.35 . . . . 25.0 110.056 178.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 24.7 mt -62.59 -38.14 80.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 N-CA-C 109.537 -0.542 . . . . 25.0 109.537 179.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -66.41 -9.41 33.5 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.902 -0.59 . . . . 25.0 112.582 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -116.57 -36.58 3.91 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.116 0.784 . . . . 25.0 113.116 -179.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.07 146.99 45.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.685 0.755 . . . . 25.0 112.696 -175.077 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -73.32 145.23 85.21 Favored Pre-proline 0 N--CA 1.442 -0.837 0 CA-C-N 115.233 -0.894 . . . . 25.0 109.182 -176.115 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -76.4 149.8 31.6 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 CA-C-O 121.534 0.556 . . . . 25.0 113.018 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 867' ' ' TYR . . . . . 0.412 ' CE1' ' HB3' ' A' ' 842' ' ' TYR . 62.9 t80 -117.27 133.02 56.48 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.835 -0.62 . . . . 25.0 112.211 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 6.1 t -140.32 38.81 1.9 Allowed 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 107.716 -1.216 . . . . 25.0 107.716 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -84.76 -164.78 38.79 Favored Glycine 0 CA--C 1.521 0.439 0 CA-C-N 115.165 -0.925 . . . . 25.0 114.486 -176.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -69.62 -25.24 29.43 Favored 'Trans proline' 0 C--N 1.345 0.369 0 N-CA-C 115.492 1.305 . . . . 25.0 115.492 -176.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -108.6 37.63 2.47 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 107.706 -1.22 . . . . 25.0 107.706 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 79.0 p -81.79 150.4 27.91 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 114.466 1.284 . . . . 25.0 114.466 -176.042 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 9.7 m -135.87 163.85 47.48 Favored Pre-proline 0 C--N 1.318 -0.766 0 N-CA-C 103.796 -2.668 . . . . 25.0 103.796 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -67.92 -7.61 20.17 Favored 'Trans proline' 0 CA--C 1.537 0.629 0 N-CA-C 115.421 1.277 . . . . 25.0 115.421 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -117.11 33.19 5.14 Favored Glycine 0 C--O 1.228 -0.254 0 N-CA-C 111.589 -0.604 . . . . 25.0 111.589 177.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -92.37 139.81 30.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.773 0.796 . . . . 25.0 112.159 -176.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 51.0 mt -136.16 140.73 43.85 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 107.914 -1.143 . . . . 25.0 107.914 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -90.74 106.79 18.75 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 107.255 -1.387 . . . . 25.0 107.255 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -74.97 -38.12 61.76 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 108.303 -0.999 . . . . 25.0 108.303 -177.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 3.8 ttp -64.63 -21.76 66.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.346 0.593 . . . . 25.0 110.173 -176.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 4.9 t -92.26 -9.7 41.17 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.853 0.686 . . . . 25.0 112.853 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -62.73 -40.48 97.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.837 -0.539 . . . . 25.0 112.373 -177.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 46.3 m -61.66 -15.49 40.31 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.326 0.861 . . . . 25.0 113.326 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 71.6 p -108.79 -15.18 14.45 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.694 0.627 . . . . 25.0 112.694 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -158.81 129.18 5.95 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.05 0.389 . . . . 25.0 112.05 -177.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 C--N 1.324 -0.523 0 N-CA-C 105.024 -2.213 . . . . 25.0 105.024 175.142 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.219 -0.519 0 N-CA-C 111.36 0.133 . . . . 25.0 111.36 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -74.05 -58.08 3.54 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 109.441 -0.577 . . . . 25.0 109.441 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 22.6 ptp -56.75 -26.42 57.27 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.961 -0.696 . . . . 25.0 111.471 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -56.09 23.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.962 -0.563 . . . . 25.0 110.148 179.456 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -72.58 -32.16 65.8 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.351 -0.386 . . . . 25.0 110.545 -177.246 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -60.15 -49.42 77.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.02 0.438 . . . . 25.0 109.999 175.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -65.08 -42.19 94.34 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 109.733 -0.469 . . . . 25.0 109.733 -179.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.39 -38.93 91.48 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.29 0.478 . . . . 25.0 112.29 -178.163 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 45.9 m -66.53 -45.46 79.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 118.194 0.452 . . . . 25.0 110.814 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -39.94 91.33 Favored 'General case' 0 C--O 1.208 -1.108 0 N-CA-C 108.69 -0.856 . . . . 25.0 108.69 177.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.71 -31.02 67.72 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 179.5 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -68.58 -35.65 77.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.144 -0.347 . . . . 25.0 110.259 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -88.07 -38.6 15.29 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.985 -0.552 . . . . 25.0 109.857 178.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 759' ' ' ASP . . . . . 0.468 ' HA ' HD21 ' A' ' 766' ' ' LEU . 57.1 t0 -88.3 68.84 9.04 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 122.512 1.149 . . . . 25.0 108.402 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -75.61 -2.41 29.13 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.546 -1.206 . . . . 25.0 110.744 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -97.89 -0.46 44.94 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 178.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 19.8 p80 40.28 40.77 0.88 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.238 1.415 . . . . 25.0 114.24 -177.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 45.4 t -71.36 -23.02 61.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.818 -0.628 . . . . 25.0 110.552 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 92.58 0.61 69.41 Favored Glycine 0 C--O 1.239 0.461 0 N-CA-C 109.838 -1.305 . . . . 25.0 109.838 -177.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -149.95 154.65 38.63 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 123.381 0.672 . . . . 25.0 109.518 -175.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 766' ' ' LEU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 19.7 mt -137.15 174.44 10.61 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.233 -1.025 . . . . 25.0 108.233 177.449 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.92 173.77 54.72 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 110.63 -0.988 . . . . 25.0 110.63 -179.225 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.69 -33.63 34.5 Favored 'Trans proline' 0 C--O 1.222 -0.287 0 CA-C-N 118.426 1.113 . . . . 25.0 113.06 -177.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -79.18 -35.72 41.4 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.867 0.365 . . . . 25.0 110.718 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -64.33 -55.42 21.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.837 0.351 . . . . 25.0 110.285 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 771' ' ' PHE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -58.9 -31.26 68.46 Favored 'General case' 0 C--O 1.213 -0.827 0 N-CA-C 112.608 0.596 . . . . 25.0 112.608 175.106 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -63.95 -45.34 89.58 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.755 0.707 . . . . 25.0 110.223 177.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -72.11 -24.94 61.56 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.257 0.551 . . . . 25.0 110.602 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 50.6 t -65.29 -28.51 69.38 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.921 -0.4 . . . . 25.0 109.921 176.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 775' ' ' LEU . . . . . 0.411 ' HB3' ' CG ' ' A' ' 780' ' ' TYR . 15.6 mt -70.9 -33.98 71.11 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-O 121.78 0.8 . . . . 25.0 109.966 178.256 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 62.6 mt -58.83 -35.27 55.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.703 -0.48 . . . . 25.0 109.703 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 19.4 t -62.3 -19.83 63.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.355 -0.384 . . . . 25.0 111.996 178.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 20.3 mt -94.67 -21.61 18.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.708 0.289 . . . . 25.0 110.606 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 120.18 34.37 0.96 Allowed Glycine 0 C--O 1.225 -0.449 0 CA-C-N 115.866 -0.607 . . . . 25.0 114.29 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 780' ' ' TYR . . . . . 0.411 ' CG ' ' HB3' ' A' ' 775' ' ' LEU . 10.1 m-85 -101.47 133.19 46.49 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.804 -0.813 . . . . 25.0 108.804 -179.473 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -84.24 50.04 1.78 Allowed 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 121.843 0.83 . . . . 25.0 110.35 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 53.6 mt . . . . . 0 C--N 1.329 -0.309 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 -175.316 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.206 -1.652 0 N-CA-C 110.203 -1.159 . . . . 25.0 110.203 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -60.34 -35.25 75.21 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 118.054 0.927 . . . . 25.0 111.834 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.71 -36.09 82.72 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.196 -0.298 . . . . 25.0 110.196 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -94.31 -14.15 25.7 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.294 0.569 . . . . 25.0 111.309 -178.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -78.96 -33.28 45.38 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.544 -0.91 . . . . 25.0 108.544 173.728 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -61.23 -30.84 70.69 Favored 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 111.706 0.262 . . . . 25.0 111.706 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.81 -34.65 45.15 Favored 'General case' 0 C--O 1.208 -1.111 0 CA-C-O 122.053 0.93 . . . . 25.0 109.75 176.504 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 45.9 mt -64.23 -50.68 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 CA-C-N 114.688 -1.142 . . . . 25.0 109.444 -176.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 17.1 ptt? -62.43 -24.49 67.44 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.91 0.386 . . . . 25.0 111.165 -176.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 62.6 m -78.72 -19.42 52.41 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 112.362 0.505 . . . . 25.0 112.362 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 70.1 mt -94.86 -45.22 13.43 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.497 0 CA-C-O 121.337 0.589 . . . . 25.0 110.029 -177.477 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.44 ' HB ' HG13 ' A' ' 807' ' ' VAL . 27.0 m -76.11 -14.1 14.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.759 -0.655 . . . . 25.0 112.149 -177.197 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -149.71 68.27 8.98 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-O 121.746 0.784 . . . . 25.0 111.444 -177.059 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -74.31 -13.11 23.13 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 117.222 -1.385 . . . . 25.0 111.533 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.84 -7.63 59.4 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 116.185 -0.461 . . . . 25.0 111.158 -178.168 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 58.87 46.91 13.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.979 0.895 . . . . 25.0 111.861 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 83.1 mt -73.89 -25.17 59.88 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.098 -1.41 . . . . 25.0 108.822 176.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 84.76 18.12 62.24 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.384 -0.825 . . . . 25.0 111.503 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 15.0 m -147.83 160.06 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 108.796 -0.816 . . . . 25.0 108.796 -175.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 807' ' ' VAL . . . . . 0.44 HG13 ' HB ' ' A' ' 799' ' ' VAL . 10.7 t -129.79 131.86 66.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.015 -0.539 . . . . 25.0 110.31 -178.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 8.0 t -97.7 159.48 14.9 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 109.662 -0.496 . . . . 25.0 109.662 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -50.73 -44.37 58.29 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-O 121.603 0.716 . . . . 25.0 111.285 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -21.09 61.42 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.578 -0.701 . . . . 25.0 110.341 -174.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -76.65 -41.71 44.69 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 119.787 -0.765 . . . . 25.0 110.957 -176.256 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.418 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 0.7 OUTLIER -67.19 -30.35 70.27 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 119.657 -0.817 . . . . 25.0 110.209 178.283 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 22.0 mm -63.42 -26.51 40.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 121.231 0.539 . . . . 25.0 110.522 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -63.0 -46.4 87.83 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 119.119 -1.033 . . . . 25.0 109.78 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 815' ' ' PHE . . . . . 0.418 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.8 p90 . . . . . 0 CA--C 1.51 -0.591 0 O-C-N 120.877 -1.139 . . . . 25.0 111.712 -178.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 15.6 ttm . . . . . 0 CA--C 1.514 -0.415 0 N-CA-C 109.675 -0.491 . . . . 25.0 109.675 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -55.55 -37.62 68.24 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.265 -0.425 . . . . 25.0 110.63 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 15.4 m -70.48 -41.96 72.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.065 0.46 . . . . 25.0 111.078 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -63.86 -36.61 84.49 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-O 121.161 0.505 . . . . 25.0 109.711 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -63.99 -19.5 65.21 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.758 0.651 . . . . 25.0 112.758 -178.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 61.7 mt -81.72 -44.53 20.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.215 -0.661 . . . . 25.0 109.215 178.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.22 -33.0 24.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.356 0.598 . . . . 25.0 110.989 -173.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.503 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -108.78 17.54 21.75 Favored 'General case' 0 C--O 1.206 -1.204 0 CA-C-N 115.557 -0.747 . . . . 25.0 112.329 -177.739 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -66.3 -19.95 68.92 Favored Glycine 0 C--O 1.223 -0.555 0 N-CA-C 107.742 -2.143 . . . . 25.0 107.742 171.066 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -74.87 -23.84 58.47 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.426 -0.887 . . . . 25.0 111.739 176.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -123.66 -175.6 3.25 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.867 -0.521 . . . . 25.0 110.206 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -106.62 8.76 31.34 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.64 -0.663 . . . . 25.0 109.769 174.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -156.85 178.75 9.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.571 -0.286 . . . . 25.0 110.315 -177.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 843' ' ' ILE . . . . . 0.503 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.4 OUTLIER -136.53 152.12 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 N-CA-C 108.68 -0.859 . . . . 25.0 108.68 -177.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 54.9 p -102.13 160.68 14.3 Favored 'General case' 0 C--N 1.315 -0.912 0 O-C-N 121.365 -0.835 . . . . 25.0 110.125 173.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 66.0 mtm -58.61 -33.67 70.27 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-N 114.78 -1.1 . . . . 25.0 111.137 177.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -74.05 -35.9 64.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.631 0.729 . . . . 25.0 111.319 -178.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -68.65 -49.23 60.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.088 -0.506 . . . . 25.0 111.763 -178.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.26 -27.36 67.89 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.733 -0.605 . . . . 25.0 110.699 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -67.59 -25.7 65.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.423 -0.353 . . . . 25.0 111.455 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -23.44 60.61 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.855 -0.528 . . . . 25.0 110.001 -179.241 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -83.79 -39.91 19.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.516 -0.766 . . . . 25.0 109.785 -176.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.67 80.44 71.93 Favored Pre-proline 0 C--O 1.22 -0.449 0 CA-C-N 115.706 -0.679 . . . . 25.0 109.598 178.703 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.48 -32.37 73.17 Favored 'Trans proline' 0 CA--C 1.552 1.376 0 N-CA-C 119.011 2.658 . . . . 25.0 119.011 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -76.28 -168.43 0.56 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 115.041 -2.839 . . . . 25.0 112.972 178.339 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -50.61 -16.48 0.38 Allowed 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 115.632 1.716 . . . . 25.0 115.632 -178.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -52.59 -39.79 61.95 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.849 -0.532 . . . . 25.0 110.878 176.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.27 -41.59 96.86 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 120.486 0.184 . . . . 25.0 110.812 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -68.14 -39.75 82.61 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.98 0.419 . . . . 25.0 110.056 -177.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -65.9 -29.68 70.15 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.471 -0.566 . . . . 25.0 109.471 176.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 36.4 m -73.0 -43.9 61.63 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 109.093 -0.706 . . . . 25.0 109.093 178.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 20.9 mt -62.64 -38.89 82.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.581 -0.526 . . . . 25.0 109.581 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.62 -6.64 11.76 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.197 0.814 . . . . 25.0 113.197 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -124.17 -34.03 3.0 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 114.593 1.331 . . . . 25.0 114.593 178.052 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 38.1 ttm -59.93 149.66 31.1 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.586 0.708 . . . . 25.0 112.747 -174.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -75.34 141.12 73.2 Favored Pre-proline 0 N--CA 1.441 -0.881 0 CA-C-N 115.733 -0.667 . . . . 25.0 109.299 -173.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -74.85 150.8 39.49 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 CA-C-O 121.419 0.508 . . . . 25.0 111.242 178.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -105.53 133.78 49.72 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 112.968 0.729 . . . . 25.0 112.968 -178.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 55.0 m -130.87 110.85 11.59 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 106.249 -1.759 . . . . 25.0 106.249 174.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -169.69 -173.24 37.02 Favored Glycine 0 C--N 1.323 -0.151 0 C-N-CA 120.086 -1.054 . . . . 25.0 112.286 -178.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.13 -27.3 24.87 Favored 'Trans proline' 0 C--O 1.218 -0.506 0 CA-C-N 119.048 1.424 . . . . 25.0 114.67 -176.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -94.59 16.19 16.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.228 0.537 . . . . 25.0 110.18 -178.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 54.7 p -70.96 151.37 44.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.82 1.295 . . . . 25.0 114.202 -172.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 4.9 m -142.1 160.18 56.14 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 102.571 -3.122 . . . . 25.0 102.571 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -60.32 -16.21 39.74 Favored 'Trans proline' 0 C--N 1.35 0.606 0 N-CA-C 115.028 1.126 . . . . 25.0 115.028 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -110.75 31.65 7.16 Favored Glycine 0 C--O 1.226 -0.352 0 C-N-CA 121.713 -0.279 . . . . 25.0 113.082 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -92.74 136.38 33.29 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.151 0.5 . . . . 25.0 111.568 -179.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 47.7 mt -134.36 140.11 46.1 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.66 -1.237 . . . . 25.0 107.66 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -88.54 108.52 19.46 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 107.34 -1.356 . . . . 25.0 107.34 178.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -79.74 -32.54 41.1 Favored 'General case' 0 CA--C 1.491 -1.301 0 CA-C-N 115.446 -0.797 . . . . 25.0 109.428 -177.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -29.73 70.6 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.201 -1.037 . . . . 25.0 108.201 -178.293 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.0 t -86.25 -15.14 41.7 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 114.004 1.113 . . . . 25.0 114.004 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -58.04 -43.29 86.76 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 115.115 1.524 . . . . 25.0 115.115 -174.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 69.8 m -66.05 -17.62 64.81 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.594 0.961 . . . . 25.0 113.594 -178.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 13.8 t -109.3 -6.37 15.54 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 111.871 0.323 . . . . 25.0 111.871 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -153.75 119.72 5.36 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.254 0.55 . . . . 25.0 112.397 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 CA--C 1.511 -0.541 0 N-CA-C 105.467 -2.049 . . . . 25.0 105.467 176.212 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 CA--C 1.504 -0.789 0 N-CA-C 108.297 -1.001 . . . . 25.0 108.297 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -59.13 -62.42 1.9 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.776 -1.102 . . . . 25.0 110.921 177.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.58 -28.8 48.75 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 121.93 -0.481 . . . . 25.0 111.658 178.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.43 -55.27 22.05 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.273 -0.421 . . . . 25.0 110.907 -178.333 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -69.33 -31.89 70.63 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.881 -0.414 . . . . 25.0 109.881 -177.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -59.41 -42.42 91.76 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.183 0.516 . . . . 25.0 109.938 176.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 33.1 mtp85 -75.05 -41.2 59.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.487 -0.324 . . . . 25.0 110.381 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -66.87 -39.48 87.55 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.966 0.728 . . . . 25.0 112.966 -177.081 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 15.9 t -67.68 -43.65 79.67 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 118.353 0.524 . . . . 25.0 110.152 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -40.98 89.3 Favored 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 177.3 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.29 -30.67 67.73 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.495 0.554 . . . . 25.0 112.495 179.266 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -68.86 -35.19 76.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.039 -0.413 . . . . 25.0 109.994 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -90.31 -33.19 16.2 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 116.22 -0.445 . . . . 25.0 110.993 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 759' ' ' ASP . . . . . 0.451 ' HA ' HD21 ' A' ' 766' ' ' LEU . 47.7 t0 -91.3 70.4 6.09 Favored 'General case' 0 CA--C 1.502 -0.888 0 CA-C-O 122.251 1.024 . . . . 25.0 108.751 -178.645 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -79.33 -1.8 38.53 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.724 -1.125 . . . . 25.0 110.785 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -89.98 -11.46 41.58 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 106.719 -1.586 . . . . 25.0 106.719 175.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 51.36 38.46 21.72 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.218 -1.355 . . . . 25.0 113.104 178.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 96.6 p -78.08 -20.03 53.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.601 -0.727 . . . . 25.0 111.176 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 95.0 2.46 62.49 Favored Glycine 0 C--O 1.246 0.878 0 N-CA-C 110.192 -1.163 . . . . 25.0 110.192 -178.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.3 p -146.37 165.6 28.83 Favored 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 123.504 0.721 . . . . 25.0 109.377 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 766' ' ' LEU . . . . . 0.469 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 15.9 mt -145.18 174.92 10.66 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 106.506 -1.664 . . . . 25.0 106.506 174.577 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -85.08 178.65 50.93 Favored Glycine 0 N--CA 1.445 -0.756 0 N-CA-C 109.139 -1.584 . . . . 25.0 109.139 179.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -70.96 -29.48 18.1 Favored 'Trans proline' 0 C--O 1.223 -0.259 0 CA-C-N 117.938 0.869 . . . . 25.0 113.75 -175.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -80.37 -37.52 32.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.541 0.686 . . . . 25.0 109.724 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -66.7 -52.99 38.29 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.77 -0.65 . . . . 25.0 110.481 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 771' ' ' PHE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -59.73 -31.61 69.78 Favored 'General case' 0 C--O 1.211 -0.948 0 C-N-CA 120.29 -0.564 . . . . 25.0 112.195 174.329 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -61.45 -47.83 83.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 119.24 0.927 . . . . 25.0 109.625 177.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.04 -25.95 62.88 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.117 0.484 . . . . 25.0 111.498 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 43.8 t -62.84 -32.12 73.27 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.628 -0.508 . . . . 25.0 109.628 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 775' ' ' LEU . . . . . 0.42 ' HB3' ' CG ' ' A' ' 780' ' ' TYR . 13.2 mt -72.52 -31.6 65.45 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-O 120.971 0.415 . . . . 25.0 111.645 178.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.1 mt -58.92 -35.77 58.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.072 -0.714 . . . . 25.0 109.072 -177.366 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 23.2 t -64.15 -17.99 64.01 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 112.352 0.501 . . . . 25.0 112.352 178.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 20.1 mt -94.93 -16.78 22.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.998 0.428 . . . . 25.0 110.596 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 115.83 37.18 1.08 Allowed Glycine 0 C--O 1.224 -0.505 0 CA-C-N 115.497 -0.774 . . . . 25.0 114.288 178.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 780' ' ' TYR . . . . . 0.42 ' CG ' ' HB3' ' A' ' 775' ' ' LEU . 11.3 m-85 -104.65 131.08 52.5 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 -179.604 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -84.05 54.47 2.94 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.849 0.833 . . . . 25.0 110.781 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 38.8 mt . . . . . 0 C--N 1.327 -0.392 0 CA-C-O 121.492 0.663 . . . . 25.0 109.568 -176.151 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.212 -1.276 0 N-CA-C 110.82 -0.912 . . . . 25.0 110.82 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -59.52 -30.65 68.74 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 118.649 1.224 . . . . 25.0 113.157 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -64.79 -36.67 85.07 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 121.078 -0.249 . . . . 25.0 110.932 177.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -90.03 -25.29 20.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.789 0.804 . . . . 25.0 110.071 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.95 -34.32 73.26 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 108.1 -1.074 . . . . 25.0 108.1 178.515 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.95 -34.2 72.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.04 0.448 . . . . 25.0 111.593 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -83.55 -28.36 28.65 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 109.109 -0.7 . . . . 25.0 109.109 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 41.0 mt -68.59 -48.86 69.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.881 -0.415 . . . . 25.0 109.881 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 19.5 ptt? -61.41 -28.82 69.53 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 121.064 0.459 . . . . 25.0 111.241 -177.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 57.2 m -70.6 -20.38 62.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.446 -0.343 . . . . 25.0 111.912 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 71.7 mt -96.01 -44.66 13.0 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.553 0 CA-C-O 121.028 0.442 . . . . 25.0 111.889 -177.047 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.449 ' HB ' HG13 ' A' ' 807' ' ' VAL . 33.5 m -79.84 -8.25 11.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 113.487 0.921 . . . . 25.0 113.487 -175.057 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -139.42 64.02 29.9 Favored Pre-proline 0 C--N 1.321 -0.655 0 N-CA-C 107.988 -1.115 . . . . 25.0 107.988 -178.453 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -78.77 -17.45 12.36 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 116.433 -1.911 . . . . 25.0 115.022 -172.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 802' ' ' ASN . . . . . 0.869 ' HB2' HD11 ' A' ' 804' ' ' LEU . 0.5 OUTLIER -88.48 -10.09 50.25 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 118.198 0.454 . . . . 25.0 109.858 -176.57 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 81.44 42.78 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.112 0 CA-C-O 124.73 2.205 . . . . 25.0 112.15 173.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 804' ' ' LEU . . . . . 0.869 HD11 ' HB2' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -80.34 -23.55 40.48 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 110.465 -3.061 . . . . 25.0 112.096 -176.039 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 79.09 18.68 74.11 Favored Glycine 0 C--O 1.243 0.678 0 CA-C-N 114.25 -1.341 . . . . 25.0 111.673 175.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 15.5 m -143.7 149.71 17.77 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 CA-C-O 121.969 0.89 . . . . 25.0 110.119 -175.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 807' ' ' VAL . . . . . 0.449 HG13 ' HB ' ' A' ' 799' ' ' VAL . 9.5 t -119.88 126.78 75.65 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.527 -0.761 . . . . 25.0 108.972 -178.305 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 8.3 t -97.35 159.46 14.91 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.827 -0.624 . . . . 25.0 109.459 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -50.7 -44.01 57.84 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-O 121.469 0.652 . . . . 25.0 111.064 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -20.61 61.09 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 121.518 -0.738 . . . . 25.0 110.287 -174.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -77.59 -41.24 39.41 Favored 'General case' 0 C--O 1.217 -0.625 0 C-N-CA 119.885 -0.726 . . . . 25.0 110.949 -177.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.437 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.1 p90 -68.08 -30.02 69.1 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 119.066 -1.054 . . . . 25.0 110.274 178.342 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 19.7 mm -64.43 -27.64 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-O 121.579 0.704 . . . . 25.0 110.039 176.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -61.73 -41.33 97.5 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.41 0.624 . . . . 25.0 110.573 -179.048 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 815' ' ' PHE . . . . . 0.437 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.0 p90 . . . . . 0 C--O 1.214 -0.796 0 C-N-CA 119.841 -0.744 . . . . 25.0 112.682 178.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.227 0 N-CA-C 109.87 -0.419 . . . . 25.0 109.87 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.58 -36.64 78.99 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 116.193 -0.458 . . . . 25.0 109.797 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 40.8 m -58.88 -41.29 86.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.997 0.427 . . . . 25.0 111.287 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -73.21 -34.76 66.13 Favored 'General case' 0 C--O 1.22 -0.483 0 O-C-N 121.638 -0.664 . . . . 25.0 110.39 178.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -64.12 -18.77 64.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.451 -0.795 . . . . 25.0 112.022 -178.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 68.5 mt -73.85 -49.51 34.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.275 -1.009 . . . . 25.0 108.275 177.032 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.79 -28.15 26.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.698 0.761 . . . . 25.0 111.575 -171.36 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.651 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -108.58 17.46 21.97 Favored 'General case' 0 C--O 1.206 -1.233 0 CA-C-N 115.701 -0.681 . . . . 25.0 112.231 -177.021 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -61.69 -26.41 66.78 Favored Glycine 0 C--N 1.316 -0.533 0 N-CA-C 108.346 -1.901 . . . . 25.0 108.346 172.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -70.23 -21.52 63.0 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 176.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -130.51 -178.09 4.63 Favored 'General case' 0 C--O 1.21 -0.988 0 CA-C-N 118.942 0.792 . . . . 25.0 111.023 -177.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -104.45 11.09 34.91 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.932 -0.766 . . . . 25.0 108.932 175.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -157.81 176.98 11.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.315 -0.402 . . . . 25.0 110.252 -176.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 843' ' ' ILE . . . . . 0.651 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.4 OUTLIER -135.7 155.02 35.58 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 N-CA-C 109.02 -0.734 . . . . 25.0 109.02 -177.192 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 41.0 p -108.41 160.23 16.04 Favored 'General case' 0 C--N 1.313 -1.018 0 O-C-N 121.112 -0.992 . . . . 25.0 109.255 173.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 72.1 mtm -60.44 -35.45 75.85 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.773 -1.103 . . . . 25.0 109.354 175.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -67.41 -30.35 70.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.396 -0.82 . . . . 25.0 112.005 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 847' ' ' GLU . . . . . 0.504 ' CD ' HH21 ' A' ' 850' ' ' ARG . 47.4 mm-40 -77.5 -55.85 5.03 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.763 -0.375 . . . . 25.0 110.365 177.514 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.1 pp -63.49 -26.42 68.71 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.397 0.517 . . . . 25.0 112.397 -175.159 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 36.3 ptt85 -69.76 -13.13 62.13 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 120.22 -0.592 . . . . 25.0 112.496 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 850' ' ' ARG . . . . . 0.504 HH21 ' CD ' ' A' ' 847' ' ' GLU . 3.2 ptp180 -81.1 -29.17 34.95 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.219 0.533 . . . . 25.0 109.984 -179.028 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -82.7 -40.83 20.1 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.962 -1.017 . . . . 25.0 110.67 -174.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.75 79.36 56.4 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 108.78 -0.822 . . . . 25.0 108.78 177.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -63.23 -21.76 72.24 Favored 'Trans proline' 0 CA--C 1.553 1.431 0 N-CA-C 119.595 2.883 . . . . 25.0 119.595 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -79.74 -162.66 0.19 Allowed 'Trans proline' 0 C--N 1.363 1.307 1 C-N-CA 113.229 -4.047 . . . . 25.0 111.825 175.404 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.7 -20.34 0.8 Allowed 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.534 1.309 . . . . 25.0 114.534 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -52.69 -38.24 60.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.008 -0.433 . . . . 25.0 111.791 177.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.11 -43.23 99.03 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-O 120.8 0.333 . . . . 25.0 110.377 178.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -68.54 -41.73 79.45 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.289 0.566 . . . . 25.0 109.559 -176.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -65.08 -26.6 68.3 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.568 176.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 30.8 m -76.44 -44.73 34.47 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 177.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 22.6 mt -60.63 -38.64 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 109.487 -0.56 . . . . 25.0 109.487 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.25 -9.88 20.11 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.894 1.072 . . . . 25.0 113.894 178.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -124.1 -24.06 4.45 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 114.214 1.191 . . . . 25.0 114.214 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 2.1 ttm -63.51 144.64 56.82 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.787 -0.449 . . . . 25.0 109.787 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -71.86 144.96 88.69 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 108.235 -1.024 . . . . 25.0 108.235 -176.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -75.22 145.94 31.32 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 CA-C-O 121.475 0.531 . . . . 25.0 111.326 177.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -105.75 128.99 54.04 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 113.184 0.809 . . . . 25.0 113.184 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 4.0 m -135.99 60.43 1.68 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.68 0.752 . . . . 25.0 109.31 177.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -111.39 -168.75 18.68 Favored Glycine 0 CA--C 1.519 0.314 0 CA-C-N 115.574 -0.739 . . . . 25.0 112.695 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -70.16 -28.82 22.85 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 CA-C-N 118.934 1.367 . . . . 25.0 114.88 -178.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -92.64 19.11 7.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.541 0.686 . . . . 25.0 110.186 -178.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 78.6 p -73.76 148.35 42.64 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 122.752 1.263 . . . . 25.0 114.328 -172.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 13.0 m -137.27 162.33 55.89 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 104.714 -2.328 . . . . 25.0 104.714 -177.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -74.78 47.98 1.82 Allowed 'Trans proline' 0 CA--C 1.546 1.112 0 C-N-CA 120.813 1.009 . . . . 25.0 114.291 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -178.44 31.43 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 N-CA-C 108.999 -1.64 . . . . 25.0 108.999 178.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -98.48 139.72 33.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.405 -0.898 . . . . 25.0 111.303 -176.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 45.1 mt -135.45 145.21 46.97 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 106.602 -1.629 . . . . 25.0 106.602 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -93.99 111.14 22.81 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 107.83 -1.174 . . . . 25.0 107.83 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -82.96 -32.35 27.12 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 115.919 -0.582 . . . . 25.0 110.367 -176.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 1.9 mtt -65.78 -31.24 72.1 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 107.834 -1.173 . . . . 25.0 107.834 -178.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.0 t -87.42 -16.56 34.52 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 114.126 1.158 . . . . 25.0 114.126 -178.117 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -53.53 -43.38 68.32 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.592 0.96 . . . . 25.0 113.592 -174.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 75.2 m -67.01 -17.53 64.96 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.655 0.983 . . . . 25.0 113.655 -178.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 43.5 p -91.63 -27.82 17.89 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.716 -0.393 . . . . 25.0 111.45 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -156.64 118.85 3.94 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.853 1.057 . . . . 25.0 113.853 -178.112 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 N-CA-C 107.634 -1.247 . . . . 25.0 107.634 173.273 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 C--O 1.217 -0.629 0 CA-C-O 120.448 0.166 . . . . 25.0 111.289 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -75.05 -56.07 5.11 Favored 'General case' 0 CA--C 1.502 -0.891 0 N-CA-C 109.242 -0.651 . . . . 25.0 109.242 -178.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 25.4 ptp -56.99 -27.0 61.1 Favored 'General case' 0 C--O 1.22 -0.491 0 C-N-CA 119.73 -0.788 . . . . 25.0 110.66 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -61.95 -53.44 55.66 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.152 -0.476 . . . . 25.0 109.806 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -74.54 -33.78 62.81 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 109.088 -0.708 . . . . 25.0 109.088 -175.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -59.0 -47.05 86.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.388 0.613 . . . . 25.0 109.981 176.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -69.78 -39.75 76.45 Favored 'General case' 0 C--O 1.213 -0.833 0 O-C-N 121.702 -0.624 . . . . 25.0 110.047 -178.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -66.78 -38.99 87.63 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-O 118.753 -0.642 . . . . 25.0 112.695 -178.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 69.4 m -71.16 -41.19 70.7 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 118.495 0.589 . . . . 25.0 110.648 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -43.63 85.8 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.776 -1.194 . . . . 25.0 107.776 176.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.31 -33.35 69.6 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 113.111 0.782 . . . . 25.0 113.111 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -64.65 -38.21 90.23 Favored 'General case' 0 CA--C 1.509 -0.622 0 O-C-N 121.618 -0.676 . . . . 25.0 109.557 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -84.31 -39.0 19.7 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 115.747 -0.661 . . . . 25.0 109.478 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -89.13 70.8 8.39 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 123.991 1.853 . . . . 25.0 109.959 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 45.2 mtm180 -74.93 -8.46 56.54 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 113.187 -1.824 . . . . 25.0 111.036 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -92.56 2.3 56.77 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 124.177 0.923 . . . . 25.0 108.719 179.146 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 21.7 p80 39.01 41.17 0.53 Allowed 'General case' 0 C--O 1.241 0.637 0 N-CA-C 114.766 1.395 . . . . 25.0 114.766 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 58.0 m -76.33 -24.33 54.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 122.258 1.028 . . . . 25.0 110.484 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 94.31 0.62 65.17 Favored Glycine 0 C--O 1.246 0.855 0 N-CA-C 109.881 -1.288 . . . . 25.0 109.881 -177.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -148.0 154.08 39.82 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 123.609 0.764 . . . . 25.0 109.951 -175.409 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 766' ' ' LEU . . . . . 0.432 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 13.6 mt -138.27 171.62 14.12 Favored 'General case' 0 CA--C 1.507 -0.68 0 N-CA-C 109.207 -0.664 . . . . 25.0 109.207 178.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -78.77 171.04 55.05 Favored Glycine 0 C--O 1.244 0.752 0 N-CA-C 110.835 -0.906 . . . . 25.0 110.835 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -66.7 -31.64 39.61 Favored 'Trans proline' 0 C--O 1.213 -0.735 0 C-N-CA 120.766 0.977 . . . . 25.0 112.351 -176.175 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -80.9 -37.95 28.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.28 0.562 . . . . 25.0 110.471 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -60.63 -53.53 56.39 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 116.225 -0.443 . . . . 25.0 110.532 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 771' ' ' PHE . . . . . 0.432 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -63.22 -28.43 70.03 Favored 'General case' 0 C--O 1.213 -0.868 0 N-CA-C 113.47 0.915 . . . . 25.0 113.47 174.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -67.46 -44.26 79.06 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 119.295 0.952 . . . . 25.0 110.93 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.44 -25.88 62.5 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.733 0.777 . . . . 25.0 109.893 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 51.5 t -61.75 -34.78 76.44 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 177.309 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 10.8 mt -66.65 -32.08 73.16 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-O 120.903 0.383 . . . . 25.0 110.834 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 57.9 mt -59.16 -33.71 51.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 N-CA-C 109.523 -0.547 . . . . 25.0 109.523 -176.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 76.5 p -62.97 -19.95 64.8 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 122.088 -0.383 . . . . 25.0 111.862 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 12.9 mt -93.81 -15.18 25.36 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.388 0.675 . . . . 25.0 111.054 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 117.5 24.7 3.37 Favored Glycine 0 C--O 1.218 -0.868 0 N-CA-C 115.624 1.01 . . . . 25.0 115.624 177.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -93.66 140.31 29.79 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.794 -0.817 . . . . 25.0 108.794 -178.1 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -94.11 42.45 1.1 Allowed 'General case' 0 N--CA 1.476 0.852 0 CA-C-O 122.585 1.183 . . . . 25.0 110.808 178.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 58.5 mt . . . . . 0 CA--C 1.539 0.542 0 N-CA-C 107.951 -1.129 . . . . 25.0 107.951 -178.261 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.208 -1.5 0 N-CA-C 109.31 -1.516 . . . . 25.0 109.31 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.38 -35.49 79.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.652 -0.91 . . . . 25.0 111.156 177.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -65.42 -32.01 73.41 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.68 0.622 . . . . 25.0 112.68 -178.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -93.36 -21.15 19.72 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 121.76 0.791 . . . . 25.0 110.566 177.129 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -73.82 -34.63 64.65 Favored 'General case' 0 C--N 1.313 -0.982 0 O-C-N 121.069 -1.019 . . . . 25.0 108.854 176.491 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -58.63 -32.73 69.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.612 0.72 . . . . 25.0 111.357 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -85.22 -28.17 25.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.475 -0.766 . . . . 25.0 109.992 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 35.5 mt -67.43 -47.29 81.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 O-C-N 123.235 0.334 . . . . 25.0 110.343 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 24.0 ptm -61.03 -26.46 67.63 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.986 -0.446 . . . . 25.0 111.728 -178.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 59.4 m -74.21 -17.74 60.85 Favored 'General case' 0 C--O 1.214 -0.806 0 N-CA-C 111.707 0.262 . . . . 25.0 111.707 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 83.3 mt -94.99 -44.99 13.39 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.532 0 CA-C-O 122.576 1.179 . . . . 25.0 110.573 -177.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.442 ' HB ' HG13 ' A' ' 807' ' ' VAL . 26.2 m -77.42 -16.28 14.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 114.73 -1.123 . . . . 25.0 112.082 -177.17 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -152.84 64.83 5.49 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.029 0.831 . . . . 25.0 112.465 -175.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -71.45 -12.85 29.98 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 118.33 -0.647 . . . . 25.0 112.563 178.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.77 -12.94 58.35 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 122.997 0.519 . . . . 25.0 109.827 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 61.0 45.85 8.94 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 121.732 0.777 . . . . 25.0 110.775 179.025 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 85.7 mt -70.53 -23.68 62.68 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 113.978 -1.464 . . . . 25.0 109.291 176.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 86.03 16.46 63.02 Favored Glycine 0 CA--C 1.508 -0.38 0 CA-C-N 114.681 -1.145 . . . . 25.0 111.526 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 9.5 m -145.75 154.84 13.12 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 N-CA-C 109.978 -0.379 . . . . 25.0 109.978 -176.212 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 807' ' ' VAL . . . . . 0.442 HG13 ' HB ' ' A' ' 799' ' ' VAL . 16.6 t -127.62 132.94 68.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.057 -0.72 . . . . 25.0 109.057 -179.17 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.16 161.85 14.1 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.976 -0.379 . . . . 25.0 109.976 178.708 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -52.78 -43.25 65.73 Favored 'General case' 0 C--O 1.204 -1.332 0 CA-C-O 121.496 0.665 . . . . 25.0 109.925 178.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -20.24 59.87 Favored 'General case' 0 C--N 1.314 -0.946 0 O-C-N 121.662 -0.649 . . . . 25.0 110.281 -172.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -76.4 -42.59 43.79 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 119.945 -0.702 . . . . 25.0 110.994 -177.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.435 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.1 p90 -67.49 -29.53 68.98 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 119.005 -1.078 . . . . 25.0 110.051 178.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 19.9 mm -65.04 -25.56 37.93 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.618 0 O-C-N 121.516 -0.74 . . . . 25.0 110.705 176.097 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.01 -40.3 96.05 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.101 -0.999 . . . . 25.0 109.867 -178.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 815' ' ' PHE . . . . . 0.435 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 4.7 p90 . . . . . 0 CA--C 1.5 -0.977 0 C-N-CA 119.411 -0.916 . . . . 25.0 112.442 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 10.1 ttm . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.75 0.31 . . . . 25.0 110.319 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.1 -36.92 75.98 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.658 -0.867 . . . . 25.0 108.658 178.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 23.9 m -65.54 -45.29 84.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.491 0.662 . . . . 25.0 111.503 -178.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -63.71 -42.14 98.0 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.834 -0.541 . . . . 25.0 109.985 177.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -58.25 -27.49 64.03 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 113.962 1.097 . . . . 25.0 113.962 -176.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 42.3 mt -74.56 -42.23 48.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.532 -0.914 . . . . 25.0 108.532 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.54 -28.07 22.21 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 114.49 1.292 . . . . 25.0 114.49 -174.733 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -69.53 -44.09 71.7 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 107.809 -1.182 . . . . 25.0 107.809 -177.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 25.39 -83.7 0.0 OUTLIER Glycine 0 N--CA 1.443 -0.882 0 N-CA-C 118.586 2.194 . . . . 25.0 118.586 -175.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.11 -8.85 57.64 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 113.928 1.085 . . . . 25.0 113.928 -175.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -110.5 139.75 45.43 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 106.853 -1.536 . . . . 25.0 106.853 176.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -80.97 10.41 5.16 Favored 'General case' 0 C--N 1.319 -0.761 0 O-C-N 121.902 -0.499 . . . . 25.0 111.514 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 842' ' ' TYR . . . . . 0.41 ' HB3' ' CE1' ' A' ' 867' ' ' TYR . 9.1 p90 -150.07 174.13 13.09 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 109.329 -0.619 . . . . 25.0 109.329 -176.505 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 1.4 tp -128.74 152.46 36.93 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 N-CA-C 107.724 -1.214 . . . . 25.0 107.724 -175.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 66.9 p -106.81 158.76 16.75 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 120.46 -1.4 . . . . 25.0 107.691 174.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 76.2 mtm -57.47 -37.87 73.58 Favored 'General case' 0 C--O 1.21 -0.996 0 N-CA-C 109.707 -0.479 . . . . 25.0 109.707 176.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -62.58 -46.24 89.21 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.621 0.724 . . . . 25.0 112.577 -178.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.75 -47.71 65.59 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.057 -0.974 . . . . 25.0 111.012 -177.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.8 pp -66.67 -22.71 66.09 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 119.458 -0.897 . . . . 25.0 110.759 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -72.24 -12.73 61.29 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 113.193 0.812 . . . . 25.0 113.193 177.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -77.71 -25.15 49.15 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 121.503 0.668 . . . . 25.0 109.466 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -86.01 -40.46 15.78 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.198 -0.91 . . . . 25.0 109.793 -176.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.47 79.25 74.24 Favored Pre-proline 0 N--CA 1.45 -0.436 0 CA-C-N 116.569 -0.287 . . . . 25.0 110.55 -178.512 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.73 -31.07 69.9 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 N-CA-C 118.649 2.519 . . . . 25.0 118.649 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -76.42 -170.26 0.85 Allowed 'Trans proline' 0 C--N 1.363 1.32 0 C-N-CA 113.83 -3.647 . . . . 25.0 112.345 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -51.19 -16.0 0.44 Allowed 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.623 1.342 . . . . 25.0 114.623 -179.254 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -50.46 -40.31 50.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 118.972 0.806 . . . . 25.0 110.729 173.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -67.84 -39.52 83.84 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-O 120.732 0.301 . . . . 25.0 110.701 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -64.56 -42.05 95.92 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.624 -0.51 . . . . 25.0 109.624 -179.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -66.99 -31.63 72.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.083 -0.508 . . . . 25.0 109.669 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 35.8 m -67.84 -47.67 68.33 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 108.112 -1.07 . . . . 25.0 108.112 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 24.9 mt -61.6 -38.38 80.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-O 121.232 0.539 . . . . 25.0 110.345 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -67.83 -7.99 32.47 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.002 1.112 . . . . 25.0 114.002 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -117.74 -27.81 6.15 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.521 -0.737 . . . . 25.0 112.194 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 864' ' ' MET . . . . . 0.469 ' HG3' ' HB2' ' A' ' 882' ' ' PHE . 16.1 ttm -66.42 142.65 57.52 Favored 'General case' 0 C--O 1.205 -1.27 0 N-CA-C 113.721 1.008 . . . . 25.0 113.721 -173.064 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -70.77 141.41 87.27 Favored Pre-proline 0 C--N 1.314 -0.953 0 CA-C-N 116.232 -0.44 . . . . 25.0 109.956 -177.091 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -74.4 148.21 37.87 Favored 'Trans proline' 0 C--O 1.223 -0.245 0 CA-C-O 121.618 0.591 . . . . 25.0 113.276 177.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 867' ' ' TYR . . . . . 0.41 ' CE1' ' HB3' ' A' ' 842' ' ' TYR . 78.2 t80 -110.49 126.95 54.9 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 -177.409 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 77.3 p -128.11 46.17 2.62 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 120.918 0.39 . . . . 25.0 110.493 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -93.01 -168.3 39.19 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 121.146 -0.55 . . . . 25.0 113.622 -175.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -70.02 -26.32 26.47 Favored 'Trans proline' 0 C--O 1.214 -0.695 0 C-N-CA 121.559 1.506 . . . . 25.0 115.613 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -107.4 33.79 3.84 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 107.317 -1.364 . . . . 25.0 107.317 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 25.7 p -78.17 146.96 34.73 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 122.132 0.968 . . . . 25.0 112.634 -175.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 18.0 m -131.42 164.09 44.95 Favored Pre-proline 0 C--N 1.318 -0.762 0 N-CA-C 105.711 -1.959 . . . . 25.0 105.711 178.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -57.82 -18.09 32.79 Favored 'Trans proline' 0 CA--C 1.536 0.583 0 N-CA-C 115.622 1.355 . . . . 25.0 115.622 -176.232 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -117.27 35.96 3.91 Favored Glycine 0 C--O 1.223 -0.593 0 CA-C-O 121.191 0.328 . . . . 25.0 112.973 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -90.84 137.55 32.27 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 112.953 0.723 . . . . 25.0 112.953 -178.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 44.1 mt -136.69 140.03 42.39 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.3 -1.0 . . . . 25.0 108.3 -177.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -90.32 103.14 15.85 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 122.613 1.197 . . . . 25.0 108.639 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -75.69 -30.72 59.43 Favored 'General case' 0 C--O 1.198 -1.633 0 CA-C-N 114.931 -1.031 . . . . 25.0 109.857 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 2.9 mmm -67.8 -30.46 69.89 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 108.317 -0.994 . . . . 25.0 108.317 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 2.5 t -90.29 -12.25 38.4 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.312 1.054 . . . . 25.0 113.818 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 882' ' ' PHE . . . . . 0.469 ' HB2' ' HG3' ' A' ' 864' ' ' MET . 1.9 t80 -60.52 -50.6 72.92 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 114.311 1.226 . . . . 25.0 114.311 -173.177 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 28.5 m -66.95 -16.73 64.53 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.254 0.835 . . . . 25.0 113.254 -178.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 68.8 p -99.35 -10.68 21.99 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.884 0.698 . . . . 25.0 112.884 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -152.29 79.53 1.24 Allowed 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.313 0.578 . . . . 25.0 110.93 -177.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 5.3 mp . . . . . 0 C--N 1.324 -0.513 0 N-CA-C 107.264 -1.384 . . . . 25.0 107.264 176.81 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 119.869 -0.11 . . . . 25.0 110.961 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -72.59 -57.34 4.21 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 121.239 0.543 . . . . 25.0 109.56 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 24.2 ptp -57.11 -25.97 59.69 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 120.15 -0.62 . . . . 25.0 110.925 178.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -56.22 20.92 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.203 -0.453 . . . . 25.0 109.982 179.296 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -71.67 -32.36 67.79 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 110.025 -0.361 . . . . 25.0 110.025 -177.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -58.63 -48.47 80.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.37 0.605 . . . . 25.0 109.765 175.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -66.67 -42.86 85.92 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 116.122 -0.49 . . . . 25.0 110.336 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.37 -40.02 93.0 Favored 'General case' 0 C--O 1.212 -0.889 0 C-N-CA 120.994 -0.282 . . . . 25.0 111.25 -177.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 47.5 m -66.22 -44.23 84.42 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 117.904 0.32 . . . . 25.0 110.801 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -40.68 96.47 Favored 'General case' 0 C--O 1.208 -1.107 0 N-CA-C 108.906 -0.775 . . . . 25.0 108.906 177.298 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.69 -34.74 76.17 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 112.642 0.608 . . . . 25.0 112.642 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -67.11 -36.76 82.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.841 0.829 . . . . 25.0 110.126 -178.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -84.58 -35.12 22.98 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 115.776 -0.647 . . . . 25.0 110.07 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -91.48 71.05 5.97 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 122.958 1.361 . . . . 25.0 109.148 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 46.4 mtm-85 -69.85 -9.58 55.34 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 113.481 -1.691 . . . . 25.0 110.51 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -92.95 -4.66 52.33 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.4 0.619 . . . . 25.0 109.628 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 20.4 p80 42.41 38.43 1.21 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.029 1.332 . . . . 25.0 113.566 -175.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 42.1 t -70.08 -25.25 63.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.982 0.896 . . . . 25.0 109.922 178.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 94.2 1.18 64.97 Favored Glycine 0 N--CA 1.451 -0.3 0 N-CA-C 109.015 -1.634 . . . . 25.0 109.015 -178.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 2.1 p -145.11 155.26 43.21 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 123.464 0.705 . . . . 25.0 110.096 -176.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 766' ' ' LEU . . . . . 0.503 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 14.5 mt -140.02 169.5 17.59 Favored 'General case' 0 CA--C 1.503 -0.857 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 176.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -75.5 171.14 54.34 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.018 -0.833 . . . . 25.0 111.018 -178.095 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -64.63 -36.73 40.62 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 CA-C-N 118.398 1.099 . . . . 25.0 112.852 -177.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -78.7 -34.4 46.1 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.003 0.43 . . . . 25.0 111.257 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -62.65 -56.24 19.56 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.531 -0.544 . . . . 25.0 109.531 178.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 771' ' ' PHE . . . . . 0.503 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -59.51 -32.84 70.66 Favored 'General case' 0 C--O 1.217 -0.639 0 N-CA-C 112.984 0.735 . . . . 25.0 112.984 174.724 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -60.76 -47.85 84.43 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 119.137 0.88 . . . . 25.0 109.765 176.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.04 -24.58 62.37 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.67 0.748 . . . . 25.0 111.431 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 50.7 t -64.23 -34.62 78.51 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.736 -0.838 . . . . 25.0 108.736 176.113 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 9.4 mt -67.95 -34.26 76.23 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 121.822 -0.549 . . . . 25.0 109.728 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 57.3 mt -60.23 -31.49 48.37 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 CA-C-O 121.336 0.589 . . . . 25.0 110.085 -177.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 15.7 m -62.65 -21.13 65.47 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.435 0.531 . . . . 25.0 112.435 178.021 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 16.0 mt -94.6 -17.11 22.64 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 115.611 -0.722 . . . . 25.0 110.775 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 116.64 29.55 2.23 Favored Glycine 0 C--O 1.225 -0.424 0 CA-C-N 115.226 -0.897 . . . . 25.0 114.955 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -95.29 141.57 28.71 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.133 -1.432 . . . . 25.0 107.133 -178.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -96.59 39.63 1.16 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.15 0.976 . . . . 25.0 108.793 177.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 58.9 mt . . . . . 0 CA--C 1.51 -0.564 0 N-CA-C 106.913 -1.514 . . . . 25.0 106.913 -177.268 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.203 -1.791 0 N-CA-C 108.737 -1.745 . . . . 25.0 108.737 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.21 -37.4 74.75 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 117.148 0.474 . . . . 25.0 111.155 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -61.78 -37.37 84.07 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.098 0.407 . . . . 25.0 112.098 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -91.3 -25.24 19.54 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.344 0.592 . . . . 25.0 110.51 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.5 -34.17 77.32 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.881 -1.155 . . . . 25.0 107.881 177.217 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -60.4 -27.05 67.14 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 121.516 0.674 . . . . 25.0 110.79 177.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -80.34 -43.58 20.93 Favored 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 108.389 -0.967 . . . . 25.0 108.389 178.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 65.2 mt -59.43 -49.59 83.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 113.956 -1.474 . . . . 25.0 110.376 -176.123 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 23.4 ptm -59.95 -29.21 68.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.845 0.355 . . . . 25.0 111.363 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 42.6 m -76.44 -16.84 59.59 Favored 'General case' 0 C--N 1.32 -0.699 0 O-C-N 122.203 -0.311 . . . . 25.0 111.788 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 68.4 mt -98.01 -47.73 12.37 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.699 0 CA-C-O 120.994 0.426 . . . . 25.0 110.048 -177.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.409 ' HB ' HG13 ' A' ' 807' ' ' VAL . 29.2 m -74.56 -16.04 16.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.271 -0.422 . . . . 25.0 111.82 -178.086 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -147.36 64.67 8.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 114.525 1.306 . . . . 25.0 114.525 -176.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -75.74 -4.63 15.48 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 117.342 -1.305 . . . . 25.0 111.078 175.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.39 -14.32 38.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.754 -0.657 . . . . 25.0 111.545 -177.109 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 61.01 49.79 5.5 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 122.082 0.944 . . . . 25.0 110.91 -176.068 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 67.6 mt -70.53 -26.89 63.78 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 105.883 -1.895 . . . . 25.0 105.883 173.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 83.55 15.71 70.39 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 109.26 -1.536 . . . . 25.0 109.26 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 11.4 m -155.34 163.8 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.609 0 N-CA-C 108.455 -0.943 . . . . 25.0 108.455 -172.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 807' ' ' VAL . . . . . 0.409 HG13 ' HB ' ' A' ' 799' ' ' VAL . 13.4 t -126.97 131.78 70.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.511 -0.768 . . . . 25.0 109.631 -178.298 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.31 159.09 15.17 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 108.541 -0.911 . . . . 25.0 108.541 178.448 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -51.86 -43.13 63.12 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.649 -0.705 . . . . 25.0 110.431 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -22.03 60.8 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 121.52 -0.737 . . . . 25.0 110.499 -175.562 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -77.13 -40.9 43.97 Favored 'General case' 0 C--O 1.216 -0.707 0 C-N-CA 119.885 -0.726 . . . . 25.0 111.618 -176.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.412 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.0 OUTLIER -68.29 -31.38 70.79 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.122 -0.986 . . . . 25.0 109.529 177.088 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 13.7 mm -63.95 -29.12 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 109.258 -0.645 . . . . 25.0 109.258 177.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -60.69 -46.09 91.69 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 109.838 -0.43 . . . . 25.0 109.838 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 815' ' ' PHE . . . . . 0.412 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 4.3 p90 . . . . . 0 CA--C 1.512 -0.497 0 C-N-CA 119.251 -0.98 . . . . 25.0 111.068 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 C--O 1.241 0.629 0 N-CA-C 109.255 -0.646 . . . . 25.0 109.255 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.45 93.61 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.894 -0.594 . . . . 25.0 110.349 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 47.6 m -64.32 -39.36 93.75 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.494 0.553 . . . . 25.0 112.494 -178.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -64.32 -35.41 80.78 Favored 'General case' 0 C--O 1.214 -0.79 0 O-C-N 121.332 -0.855 . . . . 25.0 110.231 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -64.64 -25.04 67.78 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.362 -0.535 . . . . 25.0 111.772 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 66.5 mt -79.87 -45.18 23.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 108.606 -0.887 . . . . 25.0 108.606 -178.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.49 -23.11 32.32 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 119.676 -0.81 . . . . 25.0 111.985 -173.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.746 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -107.8 17.56 22.38 Favored 'General case' 0 C--O 1.209 -1.064 0 O-C-N 122.258 -0.276 . . . . 25.0 111.669 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -65.74 -24.46 71.3 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 107.845 -2.102 . . . . 25.0 107.845 171.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -69.96 -19.55 63.35 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.43 0.529 . . . . 25.0 112.43 176.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -131.28 -166.03 1.65 Allowed 'General case' 0 C--O 1.214 -0.796 0 O-C-N 121.692 -0.63 . . . . 25.0 109.693 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -117.17 13.08 14.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.558 -0.714 . . . . 25.0 109.846 174.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 842' ' ' TYR . . . . . 0.408 ' HB3' ' CE2' ' A' ' 867' ' ' TYR . 6.4 p90 -160.95 178.73 9.1 Favored 'General case' 0 CA--C 1.511 -0.551 0 N-CA-C 108.744 -0.836 . . . . 25.0 108.744 -177.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 843' ' ' ILE . . . . . 0.746 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.3 OUTLIER -134.97 152.96 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 N-CA-C 109.001 -0.74 . . . . 25.0 109.001 -179.431 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 41.8 p -105.03 159.06 16.12 Favored 'General case' 0 CA--C 1.495 -1.135 0 N-CA-C 107.815 -1.18 . . . . 25.0 107.815 174.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 72.7 mtm -58.34 -33.4 69.49 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.31 -0.859 . . . . 25.0 110.351 175.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -71.87 -32.49 67.52 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.481 -0.781 . . . . 25.0 111.084 -178.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -76.49 -49.73 15.79 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 120.694 0.283 . . . . 25.0 110.582 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.0 pp -65.77 -26.93 67.94 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.498 -0.881 . . . . 25.0 112.177 -176.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 24.2 ptt85 -71.53 -11.59 60.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.573 -0.704 . . . . 25.0 112.014 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -73.14 -27.12 61.49 Favored 'General case' 0 CA--C 1.513 -0.45 0 O-C-N 121.633 -0.667 . . . . 25.0 109.218 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -83.37 -43.05 16.34 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 114.77 -1.104 . . . . 25.0 110.135 -177.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.8 80.73 71.56 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.347 -0.842 . . . . 25.0 109.191 -178.455 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -63.63 -23.71 69.94 Favored 'Trans proline' 0 CA--C 1.556 1.583 0 N-CA-C 119.583 2.878 . . . . 25.0 119.583 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -79.38 -165.42 0.34 Allowed 'Trans proline' 0 C--N 1.365 1.413 0 C-N-CA 113.738 -3.708 . . . . 25.0 111.731 176.173 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -49.67 -17.54 0.34 Allowed 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 114.598 1.333 . . . . 25.0 114.598 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -53.05 -39.06 62.97 Favored 'General case' 0 C--O 1.219 -0.51 0 O-C-N 121.853 -0.529 . . . . 25.0 110.833 176.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -61.32 -42.74 99.17 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 122.348 -0.22 . . . . 25.0 111.195 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -67.17 -39.97 86.52 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.246 0.546 . . . . 25.0 110.089 -177.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -65.15 -30.95 71.91 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.005 -0.739 . . . . 25.0 109.005 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 57.2 m -73.96 -42.5 60.42 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 116.366 -0.379 . . . . 25.0 110.343 178.362 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 22.7 mt -62.84 -40.27 88.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.303 -0.629 . . . . 25.0 109.303 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -62.49 -28.17 69.65 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 121.041 0.448 . . . . 25.0 111.389 178.581 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 863' ' ' ARG . . . . . 0.411 ' HB3' ' CE1' ' A' ' 882' ' ' PHE . 4.3 mpt_? -93.05 -20.91 20.08 Favored 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 112.365 0.506 . . . . 25.0 112.365 -178.474 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 3.5 ttm -74.2 167.3 21.87 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 113.708 1.003 . . . . 25.0 113.708 -175.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -99.94 143.57 26.73 Favored Pre-proline 0 C--O 1.217 -0.639 0 N-CA-C 107.828 -1.175 . . . . 25.0 107.828 -178.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -75.21 152.38 39.72 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 CA-C-N 118.686 0.566 . . . . 25.0 113.352 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 867' ' ' TYR . . . . . 0.408 ' CE2' ' HB3' ' A' ' 842' ' ' TYR . 47.9 t80 -119.35 125.37 48.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.769 -0.65 . . . . 25.0 112.394 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 72.8 p -128.23 42.21 3.36 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 109.555 -0.535 . . . . 25.0 109.555 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -85.16 -166.55 41.98 Favored Glycine 0 CA--C 1.524 0.636 0 CA-C-O 119.609 -0.55 . . . . 25.0 113.891 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -69.95 -30.61 21.12 Favored 'Trans proline' 0 N--CA 1.475 0.441 0 CA-C-N 118.971 1.386 . . . . 25.0 114.641 -177.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -97.29 23.46 7.47 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 108.889 -0.782 . . . . 25.0 108.889 -177.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 87.7 p -75.0 151.56 38.77 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 122.758 1.266 . . . . 25.0 113.59 -172.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 12.1 m -137.38 162.47 54.92 Favored Pre-proline 0 C--N 1.319 -0.745 0 N-CA-C 103.054 -2.943 . . . . 25.0 103.054 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.07 -23.98 63.63 Favored 'Trans proline' 0 C--N 1.349 0.588 0 N-CA-C 114.994 1.113 . . . . 25.0 114.994 -178.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -106.6 34.19 5.91 Favored Glycine 0 CA--C 1.51 -0.251 0 C-N-CA 121.748 -0.263 . . . . 25.0 113.475 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -92.5 137.49 32.32 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.423 0.63 . . . . 25.0 111.15 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 49.8 mt -135.56 138.36 42.93 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.895 -1.15 . . . . 25.0 107.895 -179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -87.24 102.09 14.15 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 106.91 -1.515 . . . . 25.0 106.91 178.264 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -73.23 -33.58 65.41 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.255 -0.884 . . . . 25.0 109.439 -178.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 14.1 ttp -67.99 -22.93 64.98 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.624 -0.716 . . . . 25.0 109.321 -176.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 4.3 t -86.18 -24.17 26.24 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.357 -0.838 . . . . 25.0 112.771 177.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 882' ' ' PHE . . . . . 0.411 ' CE1' ' HB3' ' A' ' 863' ' ' ARG . 7.2 t80 -56.04 -43.41 77.81 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.315 0.578 . . . . 25.0 111.679 -179.062 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.09 -23.19 4.96 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 114.945 1.461 . . . . 25.0 114.945 176.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 15.3 t -117.06 -3.43 11.56 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.721 1.008 . . . . 25.0 113.721 178.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -154.2 127.61 8.55 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 122.022 -0.424 . . . . 25.0 111.88 -177.471 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.6 pt? . . . . . 0 C--N 1.324 -0.539 0 N-CA-C 108.041 -1.096 . . . . 25.0 108.041 179.361 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 15.9 pm0 . . . . . 0 N--CA 1.448 -0.542 0 N-CA-C 111.349 0.129 . . . . 25.0 111.349 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.69 -57.65 3.75 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-O 121.296 0.57 . . . . 25.0 110.676 178.694 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 23.8 ptp -55.03 -27.15 42.3 Favored 'General case' 0 C--O 1.212 -0.89 0 C-N-CA 120.675 -0.41 . . . . 25.0 110.611 177.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.49 -56.35 22.48 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.186 -0.461 . . . . 25.0 111.098 179.207 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 750' ' ' GLU . . . . . 0.422 ' H ' ' HG2' ' A' ' 750' ' ' GLU . 13.9 pt-20 -69.35 -30.53 68.57 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.84 -0.43 . . . . 25.0 109.84 -177.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -63.93 -48.75 75.33 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.319 0.581 . . . . 25.0 111.683 174.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -66.52 -39.24 88.52 Favored 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 121.817 -0.552 . . . . 25.0 109.727 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.18 -39.12 78.9 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.62 0.6 . . . . 25.0 112.62 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 12.1 p -67.02 -43.35 83.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 118.51 0.596 . . . . 25.0 110.825 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -40.98 92.65 Favored 'General case' 0 C--O 1.211 -0.949 0 N-CA-C 108.673 -0.862 . . . . 25.0 108.673 177.073 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.48 -30.83 67.74 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.65 0.611 . . . . 25.0 112.65 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -69.44 -34.6 74.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.01 0.434 . . . . 25.0 109.867 -178.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -88.25 -36.87 16.48 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.939 -0.573 . . . . 25.0 110.049 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 759' ' ' ASP . . . . . 0.439 ' HA ' HD21 ' A' ' 766' ' ' LEU . 55.2 t0 -91.3 70.64 6.11 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 122.568 1.175 . . . . 25.0 108.756 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -79.89 -0.35 34.54 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.074 -1.421 . . . . 25.0 110.704 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -92.74 -11.46 33.83 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.262 -1.385 . . . . 25.0 107.262 176.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 53.83 37.74 27.09 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 114.333 -1.303 . . . . 25.0 112.484 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 43.3 t -70.18 -28.16 65.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.933 -1.031 . . . . 25.0 110.349 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 94.21 1.85 64.49 Favored Glycine 0 C--O 1.24 0.486 0 N-CA-C 109.456 -1.457 . . . . 25.0 109.456 -178.089 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -150.27 151.63 33.27 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 108.895 -0.78 . . . . 25.0 108.895 -175.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 766' ' ' LEU . . . . . 0.467 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 20.6 mt -134.9 174.34 10.71 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 107.105 -1.442 . . . . 25.0 107.105 176.716 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -85.46 179.4 50.49 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.141 -1.184 . . . . 25.0 110.141 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.29 -29.7 20.93 Favored 'Trans proline' 0 C--O 1.222 -0.28 0 C-N-CA 121.095 1.197 . . . . 25.0 113.593 -175.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.05 -40.32 31.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.787 0.803 . . . . 25.0 109.414 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -66.41 -53.76 32.05 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.455 -0.793 . . . . 25.0 110.914 -177.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 771' ' ' PHE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.4 OUTLIER -59.09 -31.69 69.13 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 112.636 0.606 . . . . 25.0 112.636 174.188 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -63.76 -46.4 85.46 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.864 0.756 . . . . 25.0 109.967 177.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -72.19 -24.52 61.43 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.408 0.623 . . . . 25.0 111.235 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 46.9 t -64.0 -34.34 77.78 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.972 -0.751 . . . . 25.0 108.972 176.607 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.52 -33.79 75.78 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-O 121.23 0.538 . . . . 25.0 109.645 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 60.8 mt -59.5 -32.66 49.39 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 O-C-N 121.933 -0.479 . . . . 25.0 110.048 -178.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.84 -16.72 59.66 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.594 0.59 . . . . 25.0 112.594 177.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 16.9 mt -97.46 -20.76 17.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.339 -0.391 . . . . 25.0 110.744 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 121.02 32.21 1.1 Allowed Glycine 0 C--O 1.221 -0.672 0 CA-C-N 115.874 -0.603 . . . . 25.0 114.503 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -98.45 143.84 28.45 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 106.261 -1.755 . . . . 25.0 106.261 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -99.5 33.63 2.43 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 122.226 1.012 . . . . 25.0 110.634 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 72.5 mt . . . . . 0 C--N 1.324 -0.524 0 N-CA-C 105.589 -2.004 . . . . 25.0 105.589 -178.426 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -1.339 0 N-CA-C 109.124 -1.591 . . . . 25.0 109.124 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.9 -33.79 69.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 118.064 0.932 . . . . 25.0 112.129 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -64.68 -35.16 80.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.475 -0.33 . . . . 25.0 111.295 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 791' ' ' GLU . . . . . 0.466 ' HB2' ' HE ' ' A' ' 794' ' ' ARG . 14.7 pt-20 -95.63 -17.64 21.18 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 121.889 0.852 . . . . 25.0 111.527 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.7 -32.74 68.13 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 106.733 -1.58 . . . . 25.0 106.733 174.375 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.52 -33.74 71.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.987 -0.551 . . . . 25.0 111.889 178.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 794' ' ' ARG . . . . . 0.466 ' HE ' ' HB2' ' A' ' 791' ' ' GLU . 23.1 ptt85 -82.7 -28.97 30.2 Favored 'General case' 0 C--O 1.215 -0.724 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.437 HG23 ' CE2' ' A' ' 815' ' ' PHE . 42.3 mt -68.26 -51.48 47.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.852 -0.425 . . . . 25.0 109.852 -178.463 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 18.6 ptt? -59.68 -29.41 68.06 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-O 120.853 0.359 . . . . 25.0 111.287 -178.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 50.7 m -72.08 -20.25 61.68 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.175 0.435 . . . . 25.0 112.175 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 66.4 mt -95.43 -47.14 13.18 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.62 0 CA-C-O 121.221 0.534 . . . . 25.0 110.813 -176.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 31.7 m -76.33 -14.04 14.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.929 -0.578 . . . . 25.0 111.735 -176.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -153.8 68.74 6.28 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-O 121.75 0.786 . . . . 25.0 111.033 -176.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -72.05 -7.67 21.47 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 118.157 -0.762 . . . . 25.0 112.621 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -91.48 -10.16 41.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.366 -0.379 . . . . 25.0 110.874 -178.726 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 58.57 49.02 11.05 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.796 0.808 . . . . 25.0 110.585 -177.558 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 85.4 mt -71.76 -26.19 62.35 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.573 -1.194 . . . . 25.0 107.938 175.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 89.51 19.42 48.99 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.225 -0.898 . . . . 25.0 111.801 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 14.8 m -144.64 153.45 14.81 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 CA-C-O 121.198 0.523 . . . . 25.0 110.62 -176.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 12.5 t -131.41 131.48 63.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.486 -0.779 . . . . 25.0 109.703 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -96.95 160.74 14.18 Favored 'General case' 0 CA--C 1.503 -0.85 0 N-CA-C 109.22 -0.659 . . . . 25.0 109.22 178.654 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -53.84 -42.06 68.07 Favored 'General case' 0 C--O 1.213 -0.822 0 CA-C-N 115.309 -0.86 . . . . 25.0 110.005 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -22.3 59.32 Favored 'General case' 0 C--N 1.318 -0.791 0 O-C-N 121.602 -0.686 . . . . 25.0 109.646 -174.757 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -75.47 -42.89 52.0 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 119.968 -0.693 . . . . 25.0 111.027 -177.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.451 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.0 OUTLIER -66.26 -30.59 71.05 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 119.272 -0.971 . . . . 25.0 110.288 178.214 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 18.8 mm -63.82 -26.97 41.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.336 0.588 . . . . 25.0 110.548 177.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.06 -43.74 94.56 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 119.446 -0.902 . . . . 25.0 110.627 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 815' ' ' PHE . . . . . 0.451 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.2 p90 . . . . . 0 CA--C 1.505 -0.777 0 C-N-CA 119.256 -0.978 . . . . 25.0 111.38 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.377 0 N-CA-C 109.892 -0.41 . . . . 25.0 109.892 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.96 83.95 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.603 -0.518 . . . . 25.0 109.603 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 9.6 m -62.86 -41.14 99.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.061 0.458 . . . . 25.0 111.351 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -69.14 -33.97 74.27 Favored 'General case' 0 C--O 1.22 -0.454 0 O-C-N 121.719 -0.613 . . . . 25.0 110.014 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -63.04 -21.59 66.27 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-O 120.852 0.358 . . . . 25.0 111.054 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 83.2 mt -72.81 -46.03 54.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.13 -1.063 . . . . 25.0 108.13 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.74 -29.43 25.52 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.522 0.677 . . . . 25.0 111.624 -173.317 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.664 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -108.66 17.46 21.92 Favored 'General case' 0 C--O 1.206 -1.213 0 CA-C-N 115.359 -0.837 . . . . 25.0 112.893 -177.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -62.47 -25.18 66.69 Favored Glycine 0 C--N 1.318 -0.442 0 N-CA-C 108.023 -2.031 . . . . 25.0 108.023 171.167 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -74.0 -18.82 60.81 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.673 0.62 . . . . 25.0 112.673 177.027 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -130.14 179.93 5.6 Favored 'General case' 0 C--O 1.21 -0.988 0 CA-C-N 119.074 0.852 . . . . 25.0 111.645 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -104.1 11.67 34.9 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.679 -0.638 . . . . 25.0 109.323 175.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 842' ' ' TYR . . . . . 0.434 ' HB3' ' CE2' ' A' ' 867' ' ' TYR . 5.9 p90 -160.33 178.21 9.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.337 -0.392 . . . . 25.0 110.421 -176.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 843' ' ' ILE . . . . . 0.664 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.2 OUTLIER -137.04 157.1 35.3 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.861 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 -177.831 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 41.8 p -106.8 161.79 14.36 Favored 'General case' 0 CA--C 1.501 -0.933 0 O-C-N 120.994 -1.066 . . . . 25.0 109.222 173.051 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 13.7 mtm -55.87 -40.32 72.75 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.839 -1.073 . . . . 25.0 109.784 176.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -71.21 -34.31 70.72 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.456 -0.793 . . . . 25.0 112.912 -177.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -70.15 -45.91 65.81 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.749 0.309 . . . . 25.0 110.859 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.7 pp -67.93 -26.46 65.98 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.833 -0.542 . . . . 25.0 110.521 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -66.55 -12.24 56.74 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.235 0.457 . . . . 25.0 112.235 177.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 850' ' ' ARG . . . . . 0.463 ' HG2' ' HG2' ' A' ' 851' ' ' GLU . 15.6 ptt180 -78.35 -27.46 47.03 Favored 'General case' 0 C--O 1.224 -0.263 0 N-CA-C 108.903 -0.777 . . . . 25.0 108.903 179.1 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 851' ' ' GLU . . . . . 0.463 ' HG2' ' HG2' ' A' ' 850' ' ' ARG . 25.5 mm-40 -85.74 -39.31 17.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.483 -0.78 . . . . 25.0 110.167 -175.481 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.19 77.01 77.43 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 115.842 -0.617 . . . . 25.0 110.099 179.304 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.21 -32.24 79.58 Favored 'Trans proline' 0 CA--C 1.553 1.432 0 N-CA-C 118.895 2.613 . . . . 25.0 118.895 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -77.48 -166.39 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.23 0 C-N-CA 114.794 -3.004 . . . . 25.0 112.809 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -49.82 -19.13 0.6 Allowed 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.739 1.385 . . . . 25.0 114.739 -178.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -50.17 -40.83 48.0 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 121.845 -0.534 . . . . 25.0 111.671 175.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.28 98.26 Favored 'General case' 0 C--O 1.214 -0.764 0 C-N-CA 121.058 -0.257 . . . . 25.0 111.492 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -65.96 -41.4 91.26 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.217 0.532 . . . . 25.0 109.681 -178.041 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -67.4 -26.68 66.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.278 -0.419 . . . . 25.0 110.622 175.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 39.5 m -73.29 -44.54 58.97 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 108.902 -0.777 . . . . 25.0 108.902 177.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 22.8 mt -62.35 -35.65 70.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.233 -0.654 . . . . 25.0 109.233 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.69 -8.28 19.9 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.528 0.936 . . . . 25.0 113.528 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -124.05 -33.57 3.09 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.027 1.121 . . . . 25.0 114.027 177.601 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 34.7 ttm -61.63 146.37 49.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.596 0.712 . . . . 25.0 112.062 -175.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -72.57 141.91 83.25 Favored Pre-proline 0 C--O 1.211 -0.929 0 CA-C-N 115.657 -0.701 . . . . 25.0 110.11 -171.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -75.9 145.41 28.45 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 CA-C-O 121.738 0.641 . . . . 25.0 112.079 177.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 867' ' ' TYR . . . . . 0.434 ' CE2' ' HB3' ' A' ' 842' ' ' TYR . 63.6 t80 -111.41 132.21 54.62 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.418 -0.81 . . . . 25.0 112.171 -179.219 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 7.1 t -137.56 36.23 2.46 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 122.193 0.997 . . . . 25.0 108.884 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -84.07 -167.57 42.54 Favored Glycine 0 CA--C 1.523 0.541 0 CA-C-N 115.443 -0.798 . . . . 25.0 114.053 -176.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -70.47 -26.23 24.46 Favored 'Trans proline' 0 C--O 1.222 -0.303 0 CA-C-N 118.677 1.239 . . . . 25.0 114.727 -178.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -97.45 19.9 12.56 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.714 0.769 . . . . 25.0 109.616 -177.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 83.9 p -75.77 154.72 36.12 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 115.803 1.779 . . . . 25.0 115.803 -171.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 4.0 m -140.28 162.79 47.87 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 103.038 -2.949 . . . . 25.0 103.038 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -68.95 -6.63 18.63 Favored 'Trans proline' 0 CA--C 1.535 0.534 0 C-N-CA 116.84 -1.64 . . . . 25.0 114.987 -176.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -111.87 26.81 11.06 Favored Glycine 0 C--O 1.227 -0.313 0 N-CA-C 112.147 -0.381 . . . . 25.0 112.147 177.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -91.97 141.12 28.98 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.961 0.726 . . . . 25.0 112.961 -175.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 54.0 mt -137.28 142.67 41.94 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.069 -1.456 . . . . 25.0 107.069 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -91.51 111.08 22.44 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 107.289 -1.374 . . . . 25.0 107.289 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -81.66 -36.38 28.85 Favored 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 109.233 -0.654 . . . . 25.0 109.233 -177.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -26.13 68.56 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 122.05 0.928 . . . . 25.0 108.521 -176.297 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 7.9 t -87.86 -15.45 36.72 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 114.32 1.23 . . . . 25.0 114.32 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -65.85 -38.81 89.84 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.258 0.836 . . . . 25.0 113.258 -175.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 6.2 p -57.73 -26.44 61.81 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.134 0.79 . . . . 25.0 113.134 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 12.4 t -109.16 -4.12 16.78 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.947 0.721 . . . . 25.0 112.947 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -154.72 129.09 9.06 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.493 0.923 . . . . 25.0 113.493 -177.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--N 1.325 -0.489 0 N-CA-C 104.762 -2.31 . . . . 25.0 104.762 175.768 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 C--O 1.221 -0.42 0 N-CA-C 110.677 -0.119 . . . . 25.0 110.677 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -73.02 -58.61 3.19 Favored 'General case' 0 CA--C 1.504 -0.814 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 23.9 ptp -57.1 -26.32 60.26 Favored 'General case' 0 C--O 1.219 -0.504 0 C-N-CA 119.753 -0.779 . . . . 25.0 111.394 178.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.98 -55.69 26.77 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.692 -0.686 . . . . 25.0 109.632 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -72.37 -31.93 66.0 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 121.165 -0.214 . . . . 25.0 110.544 -177.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -59.27 -48.19 82.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.902 -0.499 . . . . 25.0 109.853 175.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 -66.79 -45.12 79.44 Favored 'General case' 0 CA--C 1.508 -0.647 0 N-CA-C 109.159 -0.682 . . . . 25.0 109.159 -179.083 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -63.89 -36.44 83.95 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.885 0.698 . . . . 25.0 112.885 -177.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 45.1 m -71.6 -41.93 68.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 118.438 0.563 . . . . 25.0 110.009 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -39.77 92.34 Favored 'General case' 0 C--O 1.209 -1.066 0 N-CA-C 107.33 -1.359 . . . . 25.0 107.33 177.677 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.94 -30.76 67.16 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 112.519 0.562 . . . . 25.0 112.519 179.337 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -71.11 -31.32 67.63 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.787 -0.57 . . . . 25.0 110.352 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -91.91 -38.23 12.42 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 109.014 -0.735 . . . . 25.0 109.014 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 759' ' ' ASP . . . . . 0.471 ' HA ' HD21 ' A' ' 766' ' ' LEU . 48.9 t0 -88.31 68.18 8.88 Favored 'General case' 0 CA--C 1.505 -0.778 0 CA-C-O 122.649 1.214 . . . . 25.0 109.192 179.747 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -75.05 -9.63 58.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.184 -1.371 . . . . 25.0 110.516 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -90.48 -10.78 42.42 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.477 -0.783 . . . . 25.0 109.242 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 41.5 m80 51.73 40.82 28.37 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.651 1.18 . . . . 25.0 113.425 -178.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 19.0 m -72.93 -20.64 61.02 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 108.954 -0.758 . . . . 25.0 108.954 176.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 88.53 1.26 81.1 Favored Glycine 0 C--O 1.24 0.474 0 N-CA-C 110.127 -1.189 . . . . 25.0 110.127 -178.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -149.42 155.46 40.46 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.033 -1.099 . . . . 25.0 108.033 -175.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 766' ' ' LEU . . . . . 0.476 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 20.9 mt -136.35 173.19 11.97 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.939 -1.134 . . . . 25.0 107.939 176.015 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.83 173.12 54.65 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 109.857 -1.297 . . . . 25.0 109.857 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -66.53 -36.09 27.42 Favored 'Trans proline' 0 C--O 1.218 -0.525 0 CA-C-N 117.75 0.775 . . . . 25.0 112.873 -176.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -73.82 -35.93 64.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.487 0.66 . . . . 25.0 110.317 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -70.28 -51.64 28.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.938 -0.574 . . . . 25.0 110.33 -177.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 771' ' ' PHE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -61.0 -30.98 70.61 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 113.035 0.754 . . . . 25.0 113.035 174.051 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -63.34 -47.38 82.4 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 109.039 -0.726 . . . . 25.0 109.039 176.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -70.87 -24.44 62.51 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.247 0.546 . . . . 25.0 110.969 -178.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 49.4 t -62.61 -35.93 81.15 Favored 'General case' 0 C--O 1.209 -1.049 0 N-CA-C 109.429 -0.582 . . . . 25.0 109.429 176.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 14.2 mt -65.34 -33.71 76.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.817 0.818 . . . . 25.0 110.674 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 58.1 mt -59.58 -31.34 46.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 O-C-N 121.619 -0.676 . . . . 25.0 111.032 -177.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 82.8 p -63.9 -21.26 66.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.718 0.294 . . . . 25.0 111.697 178.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 16.7 mt -90.81 -18.6 24.6 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-O 121.203 0.525 . . . . 25.0 111.058 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 122.0 21.01 2.96 Favored Glycine 0 C--O 1.211 -1.282 0 CA-C-N 116.037 -0.529 . . . . 25.0 114.207 -179.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -92.1 146.03 24.05 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 107.91 -1.144 . . . . 25.0 107.91 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -101.64 33.34 3.01 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 107.882 -1.155 . . . . 25.0 107.882 178.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 57.3 mt . . . . . 0 N--CA 1.443 -0.775 0 N-CA-C 105.737 -1.949 . . . . 25.0 105.737 -177.062 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.203 -1.817 0 N-CA-C 109.65 -1.38 . . . . 25.0 109.65 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -57.5 -40.12 78.0 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 121.697 -0.884 . . . . 25.0 111.576 177.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -61.69 -36.81 81.96 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.006 0.373 . . . . 25.0 112.006 -178.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -89.39 -24.98 21.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.43 0.633 . . . . 25.0 110.189 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -68.12 -33.86 75.29 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.819 -0.808 . . . . 25.0 108.819 178.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.48 -28.06 66.68 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 121.664 0.745 . . . . 25.0 111.1 176.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -81.71 -40.98 21.95 Favored 'General case' 0 C--O 1.219 -0.553 0 N-CA-C 108.072 -1.084 . . . . 25.0 108.072 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 39.7 mt -62.16 -47.68 92.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 114.588 -1.187 . . . . 25.0 111.338 -176.064 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 13.9 ptt? -62.39 -26.53 68.52 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-O 120.761 0.315 . . . . 25.0 111.783 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 49.2 m -76.66 -16.92 59.41 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.507 -0.315 . . . . 25.0 110.894 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 57.8 mt -94.48 -48.64 12.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.454 0.645 . . . . 25.0 110.55 -178.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 23.2 m -75.35 -15.67 15.72 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-O 121.528 0.68 . . . . 25.0 112.675 -176.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -151.93 68.66 7.51 Favored Pre-proline 0 CA--C 1.542 0.646 0 CA-C-N 115.268 -0.878 . . . . 25.0 110.506 -174.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -71.19 -10.04 26.57 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 118.015 -0.857 . . . . 25.0 111.897 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -90.03 -9.21 49.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.314 -0.403 . . . . 25.0 110.191 -179.49 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? 55.06 50.51 15.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 122.259 1.028 . . . . 25.0 111.222 -177.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 87.3 mt -71.22 -26.0 62.74 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 113.978 -1.465 . . . . 25.0 108.337 174.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 89.41 19.78 47.86 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 110.776 -0.93 . . . . 25.0 110.776 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 7.8 m -145.3 153.1 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 CA-C-O 121.596 0.713 . . . . 25.0 110.105 -177.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 14.8 t -131.58 131.61 62.54 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.47 0 CA-C-N 115.19 -0.914 . . . . 25.0 109.827 -177.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.31 159.78 14.72 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.01 -0.737 . . . . 25.0 109.01 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -50.75 -44.53 58.46 Favored 'General case' 0 C--O 1.208 -1.104 0 O-C-N 123.433 0.458 . . . . 25.0 110.364 178.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -24.01 61.39 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 119.979 -0.688 . . . . 25.0 110.03 -174.714 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -74.95 -40.07 60.98 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.293 -0.563 . . . . 25.0 111.896 -177.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.447 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.3 p90 -70.17 -30.6 67.78 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 118.755 -1.178 . . . . 25.0 109.607 178.049 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 12.0 mm -63.03 -29.55 47.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.315 0.579 . . . . 25.0 109.728 177.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -61.99 -43.87 97.93 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.202 0.525 . . . . 25.0 110.731 -178.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 815' ' ' PHE . . . . . 0.447 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.6 p90 . . . . . 0 CA--C 1.508 -0.658 0 C-N-CA 119.21 -0.996 . . . . 25.0 111.766 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.52 0 N-CA-C 108.005 -1.109 . . . . 25.0 108.005 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -58.7 -39.34 80.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.087 -0.506 . . . . 25.0 111.193 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 77.4 p -67.68 -41.43 83.68 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 120.133 -0.627 . . . . 25.0 111.411 -179.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -64.64 -37.51 87.81 Favored 'General case' 0 C--O 1.202 -1.401 0 N-CA-C 108.938 -0.764 . . . . 25.0 108.938 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -60.51 -27.09 67.34 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.318 0.488 . . . . 25.0 112.318 -178.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 75.5 mt -75.52 -42.57 42.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.137 -0.69 . . . . 25.0 109.137 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 836' ' ' LEU . . . . . 0.436 HD11 HD11 ' A' ' 843' ' ' ILE . 0.6 OUTLIER -84.87 -27.72 26.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.899 0.857 . . . . 25.0 111.83 -176.427 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.666 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -84.27 -8.97 58.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.56 -0.746 . . . . 25.0 111.305 -178.003 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -60.15 -16.64 42.16 Favored Glycine 0 CA--C 1.523 0.561 0 O-C-N 123.855 0.722 . . . . 25.0 112.366 177.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -65.85 -29.97 70.51 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.612 0.765 . . . . 25.0 109.668 174.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -134.36 -149.92 0.37 Allowed 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 109.032 -0.729 . . . . 25.0 109.032 -177.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -125.13 10.75 8.15 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.677 -0.639 . . . . 25.0 110.048 175.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -155.87 -179.49 8.17 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 107.634 -1.247 . . . . 25.0 107.634 -176.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 843' ' ' ILE . . . . . 0.666 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.2 OUTLIER -131.5 149.27 32.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 N-CA-C 108.093 -1.077 . . . . 25.0 108.093 -178.128 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 39.9 p -100.59 160.32 14.44 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 107.761 -1.2 . . . . 25.0 107.761 173.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 74.9 mtm -56.6 -36.75 69.75 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 114.877 -1.056 . . . . 25.0 110.103 176.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -72.12 -36.83 69.54 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-O 121.157 0.503 . . . . 25.0 110.869 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -68.3 -44.55 75.2 Favored 'General case' 0 C--O 1.222 -0.363 0 O-C-N 121.829 -0.545 . . . . 25.0 111.111 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.7 pp -70.41 -26.2 63.58 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 119.734 -0.787 . . . . 25.0 110.994 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -71.17 -12.96 61.77 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 120.967 -1.083 . . . . 25.0 111.12 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -70.74 -25.6 62.99 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.69 -0.485 . . . . 25.0 109.69 177.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -85.16 -41.93 15.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 122.014 0.912 . . . . 25.0 110.809 -178.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.72 81.4 69.54 Favored Pre-proline 0 C--O 1.22 -0.463 0 CA-C-N 115.177 -0.92 . . . . 25.0 109.946 -177.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -63.38 -22.02 71.54 Favored 'Trans proline' 0 CA--C 1.547 1.15 0 N-CA-C 119.771 2.95 . . . . 25.0 119.771 -178.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -80.05 -164.0 0.26 Allowed 'Trans proline' 0 C--N 1.365 1.439 0 C-N-CA 113.891 -3.606 . . . . 25.0 111.711 175.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -52.4 -16.18 0.81 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.86 1.43 . . . . 25.0 114.86 -178.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -53.22 -37.71 62.27 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 121.761 -0.587 . . . . 25.0 110.963 175.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -69.88 -40.47 75.68 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.53 -0.174 . . . . 25.0 110.53 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -60.94 -45.13 95.93 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 122.642 1.21 . . . . 25.0 108.507 -177.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -67.13 -32.51 73.68 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 114.913 -1.039 . . . . 25.0 109.86 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 21.8 m -70.69 -38.38 73.68 Favored 'General case' 0 C--O 1.219 -0.513 0 O-C-N 122.083 -0.386 . . . . 25.0 110.457 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 20.6 mt -63.16 -40.31 88.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.225 -0.657 . . . . 25.0 109.225 178.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -66.06 -19.6 65.9 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.119 0.414 . . . . 25.0 112.119 178.499 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -101.81 -29.15 12.03 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 113.226 0.824 . . . . 25.0 113.226 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 4.9 ttm -69.2 147.13 51.74 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.376 0.607 . . . . 25.0 111.754 -177.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -74.75 144.3 79.89 Favored Pre-proline 0 N--CA 1.442 -0.866 0 CA-C-N 115.2 -0.909 . . . . 25.0 108.631 -176.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -74.24 150.57 42.34 Favored 'Trans proline' 0 N--CA 1.464 -0.26 0 CA-C-O 121.961 0.734 . . . . 25.0 112.605 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -115.85 123.62 48.62 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.254 -0.884 . . . . 25.0 111.17 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 1.9 m -128.47 47.61 2.42 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.995 0.902 . . . . 25.0 108.698 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -93.36 -167.2 38.29 Favored Glycine 0 CA--C 1.523 0.587 0 CA-C-N 115.556 -0.747 . . . . 25.0 113.741 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -70.46 -26.54 24.18 Favored 'Trans proline' 0 CA--C 1.533 0.471 0 CA-C-N 118.802 1.301 . . . . 25.0 114.858 -177.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -98.39 21.52 10.97 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 -177.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 84.0 p -74.28 150.37 40.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.814 1.292 . . . . 25.0 113.922 -171.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.9 m -138.11 164.28 41.76 Favored Pre-proline 0 C--N 1.32 -0.704 0 N-CA-C 102.769 -3.048 . . . . 25.0 102.769 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -67.44 -8.2 21.43 Favored 'Trans proline' 0 N--CA 1.475 0.386 0 C-N-CA 117.704 -1.064 . . . . 25.0 114.651 -178.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -114.12 29.02 7.95 Favored Glycine 0 CA--C 1.507 -0.45 0 N-CA-C 111.262 -0.735 . . . . 25.0 111.262 177.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -92.4 136.83 32.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.397 0.617 . . . . 25.0 111.357 -178.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 49.1 mt -135.25 137.95 43.07 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 108.078 -1.082 . . . . 25.0 108.078 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -89.43 103.29 15.94 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 107.877 -1.157 . . . . 25.0 107.877 178.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -71.42 -36.74 71.43 Favored 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 114.841 -1.072 . . . . 25.0 108.366 -177.179 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 3.9 ttm -62.4 -27.42 69.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.746 0.784 . . . . 25.0 110.4 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 4.7 t -88.59 -14.25 38.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.195 -0.911 . . . . 25.0 113.352 -177.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -59.88 -43.08 94.94 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 121.975 -0.453 . . . . 25.0 111.839 -177.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 60.0 m -65.69 -6.98 13.03 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.334 0.864 . . . . 25.0 113.334 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 47.5 p -109.11 -18.67 13.59 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.129 0.418 . . . . 25.0 112.129 177.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -158.86 139.85 12.89 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 122.579 0.352 . . . . 25.0 111.542 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 N--CA 1.466 0.374 0 N-CA-C 106.843 -1.54 . . . . 25.0 106.843 177.016 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.242 0 CA-C-O 117.829 -1.539 . . . . 25.0 110.998 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 50.0 m 48.65 48.1 20.14 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 124.604 0.826 . . . . 25.0 110.827 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 89.4 p -145.4 -176.91 5.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 122.123 0.963 . . . . 25.0 113.023 -175.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 1.1 mt -64.4 140.1 20.26 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 N-CA-C 115.147 1.536 . . . . 25.0 115.147 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 4.1 m -82.44 167.39 18.5 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.514 -0.766 . . . . 25.0 110.886 175.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -62.57 -39.13 92.69 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 121.169 -0.957 . . . . 25.0 110.416 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -74.74 -20.8 59.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.469 -0.787 . . . . 25.0 111.434 178.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -74.22 -56.02 5.38 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-O 121.013 0.435 . . . . 25.0 110.379 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 22.5 ptp -59.05 -24.54 62.96 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.195 -0.602 . . . . 25.0 110.974 178.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.5 -54.68 42.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.055 -0.52 . . . . 25.0 110.07 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -72.64 -33.45 66.61 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.43 -0.35 . . . . 25.0 110.799 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.1 -47.24 87.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.544 0.688 . . . . 25.0 110.374 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -69.12 -40.11 78.49 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 108.932 -0.766 . . . . 25.0 108.932 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.6 -39.88 92.04 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.273 0.842 . . . . 25.0 113.273 -177.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 8.3 p -68.59 -44.64 73.94 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.795 -0.362 . . . . 25.0 110.545 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -40.81 91.21 Favored 'General case' 0 C--O 1.208 -1.094 0 N-CA-C 107.788 -1.189 . . . . 25.0 107.788 177.063 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.99 -29.57 67.8 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.362 0.505 . . . . 25.0 112.362 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -71.59 -40.88 69.57 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.198 0.523 . . . . 25.0 110.257 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -82.3 -35.18 28.24 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.798 -0.637 . . . . 25.0 110.603 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -96.69 77.52 2.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.89 1.329 . . . . 25.0 108.331 -178.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -78.6 -6.96 57.03 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.185 -1.371 . . . . 25.0 111.506 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -87.43 -14.61 40.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 122.114 0.959 . . . . 25.0 109.005 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 50.1 m80 55.45 37.79 29.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 113.909 -1.496 . . . . 25.0 110.553 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 32.7 t -69.51 -26.72 64.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 122.299 1.047 . . . . 25.0 109.1 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 93.96 -1.03 67.49 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 109.183 -1.567 . . . . 25.0 109.183 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 39.9 p -146.37 154.5 41.72 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 109.088 -0.708 . . . . 25.0 109.088 -176.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 766' ' ' LEU . . . . . 0.469 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 22.8 mt -138.61 173.2 11.84 Favored 'General case' 0 CA--C 1.507 -0.684 0 O-C-N 123.99 0.807 . . . . 25.0 109.02 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.23 171.82 54.41 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.597 -0.811 . . . . 25.0 111.878 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -66.2 -29.71 46.92 Favored 'Trans proline' 0 C--O 1.217 -0.539 0 C-N-CA 121.25 1.3 . . . . 25.0 113.627 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -82.59 -37.14 25.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.987 -0.446 . . . . 25.0 110.513 178.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 770' ' ' GLU . . . . . 0.413 ' HB2' ' HB3' ' A' ' 766' ' ' LEU . 37.7 mm-40 -63.58 -54.81 30.25 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-O 121.199 0.523 . . . . 25.0 110.389 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 771' ' ' PHE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.4 OUTLIER -59.35 -28.05 66.49 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.603 0.964 . . . . 25.0 113.603 174.238 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -68.11 -45.13 74.51 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 118.595 0.634 . . . . 25.0 109.381 178.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -70.79 -26.55 63.38 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.343 0.592 . . . . 25.0 110.38 177.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 50.0 t -62.67 -29.94 71.02 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 122.007 -0.433 . . . . 25.0 111.569 176.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 16.1 mt -68.6 -35.96 78.03 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 776' ' ' ILE . . . . . 0.485 HD11 ' HA3' ' A' ' 783' ' ' GLY . 58.4 mt -57.52 -34.65 47.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.367 -0.605 . . . . 25.0 109.367 -176.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -19.03 63.5 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.518 0.562 . . . . 25.0 112.518 178.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 22.8 mt -96.71 -15.36 21.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.834 0.349 . . . . 25.0 110.648 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 111.68 40.25 1.23 Allowed Glycine 0 N--CA 1.47 0.954 0 N-CA-C 115.208 0.843 . . . . 25.0 115.208 -178.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -108.94 132.15 54.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 122.284 -0.539 . . . . 25.0 109.957 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -81.72 47.91 1.14 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.699 0.8 . . . . 25.0 111.067 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 60.5 mt -121.87 81.8 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 108.451 -0.944 . . . . 25.0 108.451 -175.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 783' ' ' GLY . . . . . 0.485 ' HA3' HD11 ' A' ' 776' ' ' ILE . . . -169.45 106.02 0.24 Allowed Glycine 0 C--O 1.202 -1.867 0 C-N-CA 121.254 -0.498 . . . . 25.0 113.957 179.048 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 60.69 19.09 9.13 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.639 0.775 . . . . 25.0 113.036 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -109.4 144.35 29.62 Favored Pre-proline 0 C--N 1.327 -0.394 0 N-CA-C 106.073 -1.825 . . . . 25.0 106.073 175.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -70.86 -21.76 27.92 Favored 'Trans proline' 0 N--CA 1.476 0.488 0 CA-C-N 118.073 0.348 . . . . 25.0 112.963 -175.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -80.6 -37.67 30.75 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 108.177 -1.045 . . . . 25.0 108.177 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -65.88 -41.74 95.32 Favored Glycine 0 C--O 1.204 -1.751 0 N-CA-C 108.012 -2.035 . . . . 25.0 108.012 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -61.43 -37.1 82.27 Favored 'General case' 0 C--N 1.317 -0.813 0 O-C-N 122.051 -0.676 . . . . 25.0 110.915 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -65.41 -36.86 85.22 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.586 0.708 . . . . 25.0 111.728 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -86.01 -25.96 25.67 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.399 -0.813 . . . . 25.0 110.97 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.24 -33.69 76.33 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.092 -1.077 . . . . 25.0 108.092 177.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.9 -29.12 68.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.468 0.651 . . . . 25.0 110.752 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -75.84 -42.64 49.07 Favored 'General case' 0 CA--C 1.503 -0.846 0 N-CA-C 108.028 -1.101 . . . . 25.0 108.028 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 71.6 mt -65.31 -49.85 76.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 114.158 -1.383 . . . . 25.0 111.201 -174.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 19.0 ptt? -61.09 -28.2 68.91 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.904 0.383 . . . . 25.0 111.51 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 49.8 m -74.39 -18.22 60.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.377 -0.827 . . . . 25.0 112.839 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 77.0 mt -93.7 -47.95 13.38 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.014 0 CA-C-O 121.027 0.441 . . . . 25.0 109.908 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.426 ' HB ' HG13 ' A' ' 807' ' ' VAL . 20.9 m -76.72 -14.99 14.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.805 -0.634 . . . . 25.0 111.473 -176.107 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -150.81 67.32 7.82 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 121.981 0.896 . . . . 25.0 112.502 -176.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -72.85 -6.83 19.73 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 118.447 -0.569 . . . . 25.0 112.095 177.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -92.36 -4.63 53.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.283 -0.261 . . . . 25.0 111.2 -179.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? 54.06 50.32 16.89 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.764 0.793 . . . . 25.0 111.522 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 86.7 mt -75.57 -24.6 56.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.079 -1.419 . . . . 25.0 108.693 175.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 83.94 20.65 59.05 Favored Glycine 0 C--O 1.223 -0.569 0 CA-C-N 115.035 -0.984 . . . . 25.0 111.064 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 9.9 m -147.08 156.53 10.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 117.547 0.674 . . . . 25.0 110.284 -176.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 807' ' ' VAL . . . . . 0.426 HG13 ' HB ' ' A' ' 799' ' ' VAL . 10.8 t -131.79 133.04 61.69 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.047 0 C-N-CA 123.113 0.565 . . . . 25.0 110.264 -177.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.73 160.85 14.15 Favored 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 109.376 -0.601 . . . . 25.0 109.376 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -54.22 -42.43 69.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.557 0.694 . . . . 25.0 109.468 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.84 -24.82 61.76 Favored 'General case' 0 C--N 1.316 -0.853 0 O-C-N 121.923 -0.486 . . . . 25.0 110.168 -175.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -75.14 -40.74 59.46 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.4 -0.52 . . . . 25.0 112.108 -177.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.413 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.1 p90 -68.4 -31.8 71.4 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 118.022 -1.471 . . . . 25.0 109.613 176.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 13.5 mm -63.27 -30.01 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 121.408 0.623 . . . . 25.0 109.554 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -59.37 -41.48 89.41 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.333 -0.394 . . . . 25.0 110.526 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 815' ' ' PHE . . . . . 0.413 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 4.3 p90 -83.07 -26.88 30.68 Favored 'General case' 0 C--O 1.214 -0.776 0 C-N-CA 119.665 -0.814 . . . . 25.0 111.493 176.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.06 -34.17 77.45 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 107.367 -1.345 . . . . 25.0 107.367 -177.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 34.1 t -62.43 -21.85 65.73 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 123.401 0.68 . . . . 25.0 112.354 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 -85.96 -33.89 21.01 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 110.121 -0.325 . . . . 25.0 110.121 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -80.69 -30.44 36.41 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.585 0.707 . . . . 25.0 111.338 -178.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 7.0 t -81.3 2.57 27.56 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 112.369 0.507 . . . . 25.0 112.369 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -56.57 -40.22 74.81 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 114.326 1.232 . . . . 25.0 114.326 -176.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -102.48 28.97 5.54 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 115.701 -0.681 . . . . 25.0 112.793 -175.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 4.8 t -145.26 165.52 28.15 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.282 -0.886 . . . . 25.0 110.712 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -155.15 169.63 23.69 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 122.213 1.006 . . . . 25.0 111.893 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 49.7 p -136.65 154.58 50.6 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 106.1 -1.815 . . . . 25.0 106.1 172.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -59.65 -35.09 73.71 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.12 0.486 . . . . 25.0 111.812 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -60.2 -57.29 13.45 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.13 0.491 . . . . 25.0 111.802 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -68.51 -28.82 67.34 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 113.747 1.017 . . . . 25.0 113.747 -176.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 4.6 p -75.19 -42.23 44.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 118.9 -1.12 . . . . 25.0 110.026 -177.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -40.92 76.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.441 0.639 . . . . 25.0 110.218 179.345 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.86 -42.67 98.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.894 -0.593 . . . . 25.0 110.79 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 54.9 m -66.6 -38.95 88.07 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.923 0.712 . . . . 25.0 112.923 -176.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -60.19 -39.52 86.81 Favored 'General case' 0 C--O 1.216 -0.669 0 C-N-CA 119.75 -0.78 . . . . 25.0 111.284 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -62.27 -23.36 66.66 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.572 0.582 . . . . 25.0 112.572 -178.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 74.9 mt -76.83 -42.6 33.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 108.309 -0.997 . . . . 25.0 108.309 -177.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.87 -28.2 24.55 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.282 -0.567 . . . . 25.0 112.364 -176.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.61 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -100.8 13.11 36.06 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 113.042 0.756 . . . . 25.0 113.042 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -61.72 -19.11 57.97 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 120.573 -0.823 . . . . 25.0 112.019 176.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -79.16 -18.52 52.94 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.14 0.576 . . . . 25.0 111.821 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -130.07 -169.77 2.19 Favored 'General case' 0 C--O 1.213 -0.858 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 -178.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -114.08 10.66 17.48 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 122.089 -0.382 . . . . 25.0 110.39 175.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -154.43 174.35 15.01 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 122.09 0.156 . . . . 25.0 110.75 -175.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 843' ' ' ILE . . . . . 0.61 HD12 ' HB2' ' A' ' 837' ' ' ALA . 2.2 tp -128.9 149.27 33.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 107.592 -1.262 . . . . 25.0 107.592 -176.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 45.0 p -100.53 159.14 15.39 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 121.036 -1.04 . . . . 25.0 109.969 172.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 72.6 mtm -59.85 -32.4 70.65 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 121.71 0.767 . . . . 25.0 109.941 175.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -66.5 -46.6 75.72 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.838 -0.619 . . . . 25.0 110.982 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -66.44 -46.36 76.71 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.979 -0.555 . . . . 25.0 111.442 -177.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.7 pp -65.49 -24.17 67.08 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.301 0.482 . . . . 25.0 112.301 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -71.41 -17.27 62.41 Favored 'General case' 0 C--O 1.222 -0.375 0 O-C-N 121.387 -0.82 . . . . 25.0 109.987 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -72.0 -27.12 62.53 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.329 -0.857 . . . . 25.0 109.06 175.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -81.54 -39.42 24.69 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 112.474 0.546 . . . . 25.0 112.474 -174.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.78 83.51 16.49 Favored Pre-proline 0 C--O 1.213 -0.865 0 N-CA-C 108.378 -0.971 . . . . 25.0 108.378 178.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -62.23 -24.34 76.06 Favored 'Trans proline' 0 CA--C 1.556 1.592 0 N-CA-C 120.622 3.278 . . . . 25.0 120.622 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -77.08 -161.2 0.13 Allowed 'Trans proline' 0 C--N 1.358 1.068 0 C-N-CA 115.165 -2.757 . . . . 25.0 111.363 177.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -59.18 -12.99 6.01 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 114.71 1.374 . . . . 25.0 114.71 -177.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -53.4 -37.05 62.14 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.911 -0.493 . . . . 25.0 110.136 174.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.34 -42.29 96.34 Favored 'General case' 0 C--O 1.218 -0.586 0 C-N-CA 122.148 0.179 . . . . 25.0 110.934 175.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -66.48 -40.81 89.51 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.144 -1.058 . . . . 25.0 108.144 -178.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -65.37 -26.73 68.14 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.887 -0.597 . . . . 25.0 109.853 177.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 44.2 m -77.34 -45.26 26.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.636 -0.665 . . . . 25.0 110.133 177.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 29.3 mt -60.51 -35.01 60.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.18 -8.41 17.11 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.057 1.132 . . . . 25.0 114.057 177.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -123.01 -29.04 3.98 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.549 0.944 . . . . 25.0 113.549 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.09 140.69 58.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.648 0.737 . . . . 25.0 112.873 -176.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -71.72 142.28 85.77 Favored Pre-proline 0 C--O 1.216 -0.695 0 CA-C-N 115.67 -0.695 . . . . 25.0 109.327 -177.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -76.0 153.1 36.88 Favored 'Trans proline' 0 C--N 1.349 0.563 0 CA-C-N 119.236 0.763 . . . . 25.0 112.88 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -117.37 127.99 54.59 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.365 0.876 . . . . 25.0 113.365 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 3.0 m -134.39 53.95 1.97 Allowed 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.899 0.857 . . . . 25.0 109.051 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -96.34 -164.82 33.48 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-N 115.644 -0.707 . . . . 25.0 112.54 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.57 -25.08 35.11 Favored 'Trans proline' 0 C--O 1.221 -0.331 0 CA-C-N 118.994 1.397 . . . . 25.0 115.06 -177.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -99.6 17.95 19.2 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.643 0.735 . . . . 25.0 110.937 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 15.6 p -69.58 146.1 52.02 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 115.153 1.538 . . . . 25.0 115.153 -172.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 8.9 m -134.89 163.62 49.93 Favored Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 102.619 -3.104 . . . . 25.0 102.619 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -58.31 -25.36 72.33 Favored 'Trans proline' 0 C--N 1.351 0.703 0 N-CA-C 115.678 1.376 . . . . 25.0 115.678 -176.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -104.42 28.47 14.92 Favored Glycine 0 C--O 1.225 -0.408 0 C-N-CA 120.743 -0.741 . . . . 25.0 113.798 178.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -85.13 133.75 34.2 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 122.011 -0.7 . . . . 25.0 110.795 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 60.4 mt -135.62 139.18 43.6 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.518 -1.29 . . . . 25.0 107.518 -178.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -88.21 101.26 13.66 Favored 'General case' 0 C--N 1.312 -1.06 0 O-C-N 121.144 -0.972 . . . . 25.0 109.513 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -74.29 -29.09 61.49 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-N 115.968 -0.56 . . . . 25.0 110.404 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -34.72 78.37 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.209 -1.034 . . . . 25.0 108.209 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 8.0 t -77.01 -32.18 56.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.388 -1.278 . . . . 25.0 112.188 -177.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -51.83 -41.12 61.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.255 0.55 . . . . 25.0 112.052 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 9.6 t -47.83 -30.94 4.45 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 115.871 1.804 . . . . 25.0 115.871 173.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 9.1 t -115.78 -8.3 12.0 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.281 1.215 . . . . 25.0 114.281 -179.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -152.99 136.16 15.65 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.324 0.49 . . . . 25.0 112.324 -178.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -146.51 154.7 41.86 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 105.622 -1.992 . . . . 25.0 105.622 178.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -119.9 -5.73 10.08 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 114.722 1.379 . . . . 25.0 114.722 -178.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -69.06 -24.81 75.78 Favored Glycine 0 C--O 1.227 -0.322 0 C-N-CA 120.266 -0.968 . . . . 25.0 112.43 -177.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -122.63 53.26 1.27 Allowed 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 107.861 -1.162 . . . . 25.0 107.861 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 74.9 m -72.33 -13.87 61.6 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 114.243 1.201 . . . . 25.0 114.243 -176.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -117.06 17.43 14.88 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 123.029 0.532 . . . . 25.0 111.943 -177.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 9.2 tt . . . . . 0 C--O 1.249 1.058 0 CA-C-O 117.776 -1.107 . . . . 25.0 112.181 178.922 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 CA-C-O 118.985 -0.897 . . . . 25.0 111.828 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 8.0 t 55.89 45.13 24.65 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 115.024 1.49 . . . . 25.0 115.024 177.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 62.9 p -74.48 -14.04 60.78 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 114.184 1.179 . . . . 25.0 114.184 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 4.1 mt -61.14 123.48 13.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 N-CA-C 116.637 2.088 . . . . 25.0 116.637 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 49.2 m -90.03 171.06 9.82 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 112.844 -1.98 . . . . 25.0 107.553 173.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -61.98 -35.34 78.21 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 120.987 -1.071 . . . . 25.0 110.358 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.18 -22.53 59.36 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.451 -0.34 . . . . 25.0 111.233 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.76 -57.17 4.29 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.234 0.54 . . . . 25.0 109.883 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 22.3 ptp -57.74 -25.46 60.44 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.674 -0.81 . . . . 25.0 111.091 178.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -54.45 36.16 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.545 -0.752 . . . . 25.0 110.791 179.163 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -72.78 -31.67 65.04 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.246 -0.434 . . . . 25.0 110.001 -177.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -59.11 -48.65 80.84 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.476 -0.564 . . . . 25.0 109.476 174.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -65.27 -45.37 84.79 Favored 'General case' 0 CA--C 1.508 -0.635 0 O-C-N 122.252 -0.28 . . . . 25.0 110.511 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -62.46 -39.24 92.76 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.554 0.575 . . . . 25.0 112.554 -178.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 44.5 m -66.86 -43.96 82.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 118.198 0.454 . . . . 25.0 110.842 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -41.19 97.42 Favored 'General case' 0 C--O 1.208 -1.11 0 N-CA-C 108.597 -0.89 . . . . 25.0 108.597 177.479 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.42 -32.52 71.54 Favored 'General case' 0 C--O 1.22 -0.498 0 N-CA-C 112.798 0.666 . . . . 25.0 112.798 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -67.19 -37.3 83.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.058 0.456 . . . . 25.0 110.371 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -87.21 -35.79 18.35 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.016 -0.538 . . . . 25.0 110.09 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 759' ' ' ASP . . . . . 0.469 ' HA ' HD21 ' A' ' 766' ' ' LEU . 57.0 t0 -88.57 69.68 8.87 Favored 'General case' 0 CA--C 1.502 -0.897 0 CA-C-O 122.613 1.197 . . . . 25.0 108.457 -179.251 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 27.3 mtp-105 -75.44 -1.99 26.61 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 113.964 -1.471 . . . . 25.0 110.913 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -95.26 -11.41 27.99 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 107.722 -1.214 . . . . 25.0 107.722 178.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 53.22 36.28 22.2 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 114.474 -1.239 . . . . 25.0 111.849 -178.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 45.2 t -69.13 -27.35 65.48 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.902 -1.045 . . . . 25.0 110.572 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 94.63 1.63 63.74 Favored Glycine 0 C--O 1.241 0.561 0 N-CA-C 109.003 -1.639 . . . . 25.0 109.003 -177.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -149.56 154.94 39.5 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 123.536 0.734 . . . . 25.0 109.189 -175.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 766' ' ' LEU . . . . . 0.469 HD21 ' HA ' ' A' ' 759' ' ' ASP . 14.5 mt -137.2 173.43 11.7 Favored 'General case' 0 CA--C 1.503 -0.844 0 N-CA-C 108.1 -1.074 . . . . 25.0 108.1 177.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.65 171.01 54.53 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 109.025 -1.63 . . . . 25.0 109.025 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -66.98 -34.05 30.49 Favored 'Trans proline' 0 C--O 1.221 -0.36 0 CA-C-N 118.499 1.15 . . . . 25.0 112.176 -178.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -74.42 -37.41 63.33 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.099 0.476 . . . . 25.0 111.029 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 82.0 mm-40 -64.28 -55.02 24.27 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.719 -0.474 . . . . 25.0 109.719 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 771' ' ' PHE . . . . . 0.455 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.4 OUTLIER -58.01 -33.52 69.04 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 112.677 0.621 . . . . 25.0 112.677 174.688 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -60.79 -46.99 88.34 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.056 0.844 . . . . 25.0 110.487 176.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -73.42 -24.21 60.23 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.467 0.651 . . . . 25.0 111.016 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 50.1 t -64.86 -35.1 80.05 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.726 -0.842 . . . . 25.0 108.726 176.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 10.6 mt -66.11 -33.94 76.92 Favored 'General case' 0 C--O 1.21 -0.983 0 CA-C-O 121.083 0.468 . . . . 25.0 109.983 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.99 -32.75 48.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 121.125 0.488 . . . . 25.0 110.301 -177.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 16.1 m -62.96 -20.73 65.53 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.158 0.429 . . . . 25.0 112.158 178.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 19.2 mt -92.61 -20.55 20.76 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.192 -0.458 . . . . 25.0 110.463 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 121.39 30.97 1.21 Allowed Glycine 0 N--CA 1.463 0.497 0 CA-C-N 115.802 -0.636 . . . . 25.0 114.563 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -98.58 143.34 29.09 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 105.628 -1.99 . . . . 25.0 105.628 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -101.78 31.07 4.01 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.723 0.773 . . . . 25.0 110.861 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 77.8 mt -96.26 87.43 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 105.285 -2.117 . . . . 25.0 105.285 -178.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -163.79 106.78 0.28 Allowed Glycine 0 C--O 1.225 -0.435 0 N-CA-C 117.857 1.903 . . . . 25.0 117.857 -173.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 43.3 t30 59.56 30.06 19.67 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.143 0.977 . . . . 25.0 113.142 174.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -131.33 160.35 67.56 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.488 -0.778 . . . . 25.0 109.283 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.62 -16.28 24.05 Favored 'Trans proline' 0 CA--C 1.512 -0.619 0 C-N-CA 117.635 -1.11 . . . . 25.0 114.528 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -85.29 -38.03 19.31 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 118.711 -1.196 . . . . 25.0 108.17 -174.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -65.7 -45.25 90.05 Favored Glycine 0 C--O 1.211 -1.289 0 N-CA-C 108.985 -1.646 . . . . 25.0 108.985 176.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.82 -33.36 70.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 118.441 1.12 . . . . 25.0 111.924 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -62.54 -38.29 89.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.444 -0.344 . . . . 25.0 111.055 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -92.89 -20.47 20.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.856 0.836 . . . . 25.0 111.561 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.56 -33.31 70.98 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 107.251 -1.388 . . . . 25.0 107.251 175.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -60.01 -33.38 71.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.467 -0.333 . . . . 25.0 111.663 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -82.12 -28.4 32.25 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.419 HG23 ' CE2' ' A' ' 815' ' ' PHE . 52.4 mt -69.43 -50.77 48.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.791 -0.448 . . . . 25.0 109.791 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 27.3 ptm -60.59 -31.67 70.81 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-O 120.781 0.325 . . . . 25.0 110.943 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 71.2 m -67.76 -20.31 65.21 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.402 0.519 . . . . 25.0 112.402 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 69.2 mt -95.19 -47.65 13.08 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.6 0 CA-C-O 121.131 0.491 . . . . 25.0 111.088 -177.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 31.5 m -76.27 -14.4 14.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.98 -0.554 . . . . 25.0 111.741 -177.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -154.08 68.53 6.05 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-O 121.725 0.774 . . . . 25.0 110.842 -176.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -70.94 -13.11 31.5 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 117.309 -1.327 . . . . 25.0 112.555 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.19 -7.86 57.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 25.0 111.793 -177.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 58.47 47.2 13.94 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 121.644 0.735 . . . . 25.0 111.2 -178.289 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 85.5 mt -70.98 -25.36 62.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.737 -1.12 . . . . 25.0 108.05 175.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 88.43 20.23 49.24 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.253 -0.885 . . . . 25.0 111.798 178.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 6.1 m -145.16 152.54 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 CA-C-N 117.137 0.469 . . . . 25.0 110.405 -176.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 14.1 t -130.74 131.48 64.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.908 -0.775 . . . . 25.0 108.908 179.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.2 161.36 13.85 Favored 'General case' 0 CA--C 1.502 -0.88 0 N-CA-C 109.305 -0.628 . . . . 25.0 109.305 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -53.65 -42.91 68.33 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 115.203 -0.908 . . . . 25.0 110.053 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -21.12 59.61 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 121.756 -0.59 . . . . 25.0 109.714 -174.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -76.93 -41.78 42.03 Favored 'General case' 0 C--O 1.215 -0.731 0 C-N-CA 120.373 -0.531 . . . . 25.0 111.225 -178.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.436 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 0.9 OUTLIER -67.59 -30.53 70.16 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 118.742 -1.183 . . . . 25.0 109.65 177.066 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 17.1 mm -64.05 -26.84 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-O 121.362 0.601 . . . . 25.0 109.968 177.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.56 -49.99 75.32 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.275 -0.639 . . . . 25.0 109.275 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 815' ' ' PHE . . . . . 0.436 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.8 p90 -78.78 -24.06 44.88 Favored 'General case' 0 C--O 1.209 -1.049 0 C-N-CA 119.005 -1.078 . . . . 25.0 111.321 -177.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -63.94 -34.63 78.42 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 106.575 -1.639 . . . . 25.0 106.575 -178.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 21.7 t -70.28 -31.41 68.76 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.821 -0.627 . . . . 25.0 110.499 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -75.19 -31.47 60.96 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 113.857 1.058 . . . . 25.0 113.857 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -76.67 -19.52 57.66 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 119.496 -0.882 . . . . 25.0 111.279 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 14.6 t -110.59 17.44 20.71 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.596 -0.89 . . . . 25.0 108.596 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -61.86 -70.66 0.18 Allowed 'General case' 0 C--O 1.24 0.572 0 N-CA-C 117.501 2.408 . . . . 25.0 117.501 -171.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -146.15 -174.13 4.36 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.788 1.033 . . . . 25.0 113.788 -166.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 15.4 t -153.6 154.14 33.67 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.582 -0.895 . . . . 25.0 108.582 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -94.05 0.22 55.8 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.195 1.183 . . . . 25.0 114.195 -175.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 48.2 p -55.36 -22.51 19.8 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 116.762 2.134 . . . . 25.0 116.762 -173.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -89.48 -18.38 26.83 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 114.753 1.39 . . . . 25.0 114.753 177.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -72.21 -33.95 67.98 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.059 -1.026 . . . . 25.0 112.369 -174.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.45 -34.87 64.87 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 114.39 1.256 . . . . 25.0 114.39 -175.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.98 -38.18 71.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.652 -0.87 . . . . 25.0 108.652 -177.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 830' ' ' MET . . . . . 0.41 ' HE1' ' O ' ' A' ' 879' ' ' TYR . 0.1 OUTLIER -72.16 -38.16 69.2 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 179.863 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.74 -41.73 91.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.933 -0.576 . . . . 25.0 110.409 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 60.1 p -60.22 -41.37 92.93 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.17 0.433 . . . . 25.0 112.17 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -68.45 -34.32 75.75 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.798 -0.564 . . . . 25.0 109.763 -179.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -68.2 -21.32 64.87 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.59 0.589 . . . . 25.0 112.59 -178.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 72.5 mt -83.78 -39.66 15.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 108.599 -0.889 . . . . 25.0 108.599 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.72 -29.83 25.24 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.052 -0.659 . . . . 25.0 111.758 -175.167 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.625 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -108.59 17.35 22.09 Favored 'General case' 0 C--O 1.205 -1.266 0 CA-C-N 115.707 -0.679 . . . . 25.0 112.424 -178.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -58.12 -24.97 56.21 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 109.21 -1.556 . . . . 25.0 109.21 171.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -67.79 -25.33 65.54 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.897 0.703 . . . . 25.0 112.897 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -128.5 178.51 6.24 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 118.776 0.717 . . . . 25.0 111.119 -176.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -102.89 14.73 31.26 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.859 -0.793 . . . . 25.0 108.859 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -159.43 175.82 12.86 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.296 -1.001 . . . . 25.0 108.296 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 843' ' ' ILE . . . . . 0.625 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.5 OUTLIER -136.77 155.27 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 N-CA-C 108.09 -1.078 . . . . 25.0 108.09 -178.015 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 37.4 p -103.68 158.14 16.58 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.543 0.687 . . . . 25.0 109.811 172.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 72.4 mtm -58.81 -36.49 74.57 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.554 -1.203 . . . . 25.0 109.931 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -68.57 -35.9 78.03 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.716 -0.675 . . . . 25.0 112.265 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -71.62 -46.37 59.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 122.234 -0.291 . . . . 25.0 111.455 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.2 pp -68.38 -26.53 65.61 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.607 -0.437 . . . . 25.0 110.039 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 22.5 mtt-85 -64.79 -12.76 51.24 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.06 0.763 . . . . 25.0 113.06 177.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 4.1 ptp85 -79.74 -29.46 40.58 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.102 0.477 . . . . 25.0 110.544 177.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -82.6 -37.93 24.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.472 -0.785 . . . . 25.0 110.13 -172.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.94 79.04 69.4 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 108.483 -0.932 . . . . 25.0 108.483 176.191 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -54.53 -33.26 77.64 Favored 'Trans proline' 0 CA--C 1.55 1.304 0 N-CA-C 118.69 2.535 . . . . 25.0 118.69 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -77.03 -166.74 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 C-N-CA 114.667 -3.089 . . . . 25.0 112.792 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -51.88 -16.54 0.73 Allowed 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.953 1.464 . . . . 25.0 114.953 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -52.98 -35.81 59.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.923 -0.486 . . . . 25.0 111.365 176.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -65.81 -39.7 91.16 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 120.799 -0.361 . . . . 25.0 111.338 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -65.21 -42.23 93.68 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.588 -0.893 . . . . 25.0 108.588 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -65.86 -29.32 69.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.792 -0.64 . . . . 25.0 110.283 177.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 36.5 m -73.16 -40.84 64.52 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 109.658 -0.497 . . . . 25.0 109.658 178.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 19.8 mt -64.08 -37.28 79.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.069 -0.715 . . . . 25.0 109.069 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -68.16 -13.54 62.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.096 -0.502 . . . . 25.0 111.937 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -107.45 -33.25 7.41 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 112.819 0.674 . . . . 25.0 112.819 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 6.1 ttm -66.87 160.77 25.39 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 113.268 0.84 . . . . 25.0 113.268 -175.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -86.33 142.82 35.86 Favored Pre-proline 0 C--N 1.319 -0.744 0 N-CA-C 107.368 -1.345 . . . . 25.0 107.368 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -76.29 152.11 34.59 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 CA-C-N 118.69 0.568 . . . . 25.0 111.978 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -109.17 138.33 45.69 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 113.745 1.017 . . . . 25.0 113.745 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 59.4 m -140.26 123.62 16.93 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 105.14 -2.17 . . . . 25.0 105.14 172.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -177.94 -170.13 39.76 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.459 -0.876 . . . . 25.0 111.883 -177.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.72 -28.15 31.03 Favored 'Trans proline' 0 C--O 1.221 -0.338 0 CA-C-N 119.067 1.434 . . . . 25.0 114.494 -177.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -98.9 16.74 21.42 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.747 0.785 . . . . 25.0 109.832 -177.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 83.0 p -72.95 148.53 44.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 122.632 1.206 . . . . 25.0 113.524 -174.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 5.6 m -138.17 163.55 46.77 Favored Pre-proline 0 C--N 1.318 -0.779 0 N-CA-C 103.109 -2.922 . . . . 25.0 103.109 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.37 -7.91 21.49 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 116.949 -1.567 . . . . 25.0 115.381 -176.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -115.53 32.64 5.61 Favored Glycine 0 C--O 1.223 -0.566 0 N-CA-C 112.28 -0.328 . . . . 25.0 112.28 177.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -94.37 137.67 33.24 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.733 0.642 . . . . 25.0 112.733 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 49.4 mt -134.87 143.22 46.87 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 106.814 -1.55 . . . . 25.0 106.814 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -91.45 111.08 22.43 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 106.452 -1.685 . . . . 25.0 106.452 177.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 879' ' ' TYR . . . . . 0.41 ' O ' ' HE1' ' A' ' 830' ' ' MET . 8.6 p90 -84.79 -33.24 23.02 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-O 121.603 0.716 . . . . 25.0 109.439 -178.063 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 3.3 mtt -65.08 -24.31 67.42 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.766 -0.827 . . . . 25.0 108.766 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.8 t -89.96 -16.92 28.89 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.219 -0.901 . . . . 25.0 113.162 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -56.74 -39.1 73.35 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.141 0.793 . . . . 25.0 113.141 -177.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 24.4 m -58.2 -24.36 58.82 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.151 1.167 . . . . 25.0 114.151 178.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 14.7 t -109.09 -7.73 15.28 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.85 0.685 . . . . 25.0 112.85 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -153.71 127.6 8.89 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.232 0.456 . . . . 25.0 112.232 -177.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 1.2 pp -146.69 152.09 38.27 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 106.188 -1.782 . . . . 25.0 106.188 177.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -122.62 -6.37 8.63 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.196 0.443 . . . . 25.0 112.196 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -95.92 47.8 1.83 Allowed Glycine 0 C--O 1.226 -0.362 0 N-CA-C 111.351 -0.7 . . . . 25.0 111.351 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -66.18 139.59 58.13 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.922 -0.77 . . . . 25.0 108.922 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 31.0 t -164.54 164.36 21.75 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 106.56 -1.645 . . . . 25.0 106.56 -175.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -72.99 -24.16 60.73 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.708 0.766 . . . . 25.0 108.965 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 46.4 tp . . . . . 0 C--O 1.248 0.978 0 CA-C-O 117.196 -1.383 . . . . 25.0 108.815 179.498 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 CA-C-O 117.989 -1.45 . . . . 25.0 110.969 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 3.6 m -52.32 117.48 2.86 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 114.364 1.246 . . . . 25.0 114.364 -176.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 35.9 t -76.44 -36.42 57.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 122.237 1.018 . . . . 25.0 108.814 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 3.5 mt -79.6 116.45 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 N-CA-C 115.958 1.836 . . . . 25.0 115.958 -178.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 67.9 m -92.34 173.64 7.7 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 111.443 -2.617 . . . . 25.0 105.925 170.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.95 -35.74 81.16 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.307 -1.496 . . . . 25.0 110.599 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -72.21 -24.76 61.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.158 -0.474 . . . . 25.0 110.993 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.05 -55.85 7.38 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 121.247 0.546 . . . . 25.0 110.278 178.222 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 23.7 ptp -59.17 -26.27 64.64 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 119.566 -0.854 . . . . 25.0 110.385 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -56.37 20.31 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.052 -0.522 . . . . 25.0 109.778 178.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -72.0 -30.78 65.58 Favored 'General case' 0 C--O 1.215 -0.742 0 CA-C-N 116.674 -0.239 . . . . 25.0 110.881 -177.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -59.47 -50.45 73.88 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.917 -0.772 . . . . 25.0 108.917 175.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -65.25 -44.3 88.57 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 116.289 -0.414 . . . . 25.0 110.773 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -66.7 -37.93 85.73 Favored 'General case' 0 C--O 1.209 -1.034 0 N-CA-C 112.371 0.508 . . . . 25.0 112.371 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 43.4 m -69.09 -42.17 76.5 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 118.584 0.629 . . . . 25.0 111.21 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -41.74 98.21 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 107.942 -1.133 . . . . 25.0 107.942 176.077 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.92 -34.04 75.85 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.226 0.454 . . . . 25.0 112.226 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -69.38 -36.47 76.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.905 -0.497 . . . . 25.0 110.809 -177.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -84.65 -35.97 22.27 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 109.949 -0.389 . . . . 25.0 109.949 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -87.09 67.92 9.85 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-O 123.018 1.39 . . . . 25.0 108.385 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -72.29 -8.03 52.69 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 113.746 -1.57 . . . . 25.0 110.552 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -93.76 -0.14 56.05 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.671 -0.863 . . . . 25.0 108.671 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 20.5 p80 40.48 39.06 0.66 Allowed 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.252 1.421 . . . . 25.0 114.701 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 89.1 p -78.71 -19.5 52.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.671 -0.695 . . . . 25.0 111.306 -179.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 94.88 -1.31 65.38 Favored Glycine 0 C--O 1.242 0.603 0 N-CA-C 109.894 -1.282 . . . . 25.0 109.894 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 28.2 p -143.73 165.49 27.52 Favored 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 122.833 0.453 . . . . 25.0 110.755 -176.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 766' ' ' LEU . . . . . 0.483 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 15.2 mt -145.32 171.67 14.25 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 109.086 -0.709 . . . . 25.0 109.086 176.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.52 174.13 55.18 Favored Glycine 0 N--CA 1.451 -0.355 0 N-CA-C 111.002 -0.839 . . . . 25.0 111.002 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -68.78 -29.02 29.59 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 CA-C-N 118.601 1.2 . . . . 25.0 113.009 -176.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 63.9 tt0 -80.59 -37.91 30.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.059 0.457 . . . . 25.0 110.676 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -64.48 -54.12 37.52 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.089 -0.505 . . . . 25.0 110.882 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 771' ' ' PHE . . . . . 0.483 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -60.44 -28.07 68.01 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 113.198 0.814 . . . . 25.0 113.198 175.347 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -68.06 -44.88 75.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 118.628 0.649 . . . . 25.0 109.754 177.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -73.26 -24.41 60.44 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.293 0.568 . . . . 25.0 111.019 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 46.3 t -61.84 -35.35 77.99 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.161 -0.681 . . . . 25.0 109.161 175.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 16.2 mt -67.3 -33.04 74.44 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-O 120.816 0.341 . . . . 25.0 110.188 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.4 mt -59.04 -34.25 52.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 109.334 -0.617 . . . . 25.0 109.334 -177.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 15.7 m -64.1 -19.01 64.95 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.538 0.569 . . . . 25.0 112.538 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 18.8 mt -94.11 -18.12 22.1 Favored 'General case' 0 C--O 1.219 -0.536 0 O-C-N 123.81 0.693 . . . . 25.0 110.342 179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 115.26 35.32 1.34 Allowed Glycine 0 C--N 1.332 0.336 0 N-CA-C 114.924 0.73 . . . . 25.0 114.924 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -101.53 133.54 46.03 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.325 -0.991 . . . . 25.0 108.325 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -85.78 49.76 1.83 Allowed 'General case' 0 CA--C 1.546 0.825 0 CA-C-O 121.962 0.887 . . . . 25.0 110.158 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 52.4 mt -125.09 77.62 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 108.567 -0.901 . . . . 25.0 108.567 -175.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -147.02 77.69 0.25 Allowed Glycine 0 C--O 1.218 -0.873 0 N-CA-C 114.877 0.711 . . . . 25.0 114.877 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 60.0 t30 67.42 12.99 9.2 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.163 0.985 . . . . 25.0 111.238 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -80.65 149.57 68.14 Favored Pre-proline 0 C--N 1.317 -0.824 0 N-CA-C 107.177 -1.416 . . . . 25.0 107.177 176.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -71.17 -19.54 29.48 Favored 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 114.97 -2.886 . . . . 25.0 112.634 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -83.06 -38.32 22.68 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 107.975 -1.12 . . . . 25.0 107.975 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -65.03 -45.29 92.64 Favored Glycine 0 C--O 1.208 -1.476 0 N-CA-C 110.132 -1.187 . . . . 25.0 110.132 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.16 -35.95 76.47 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.697 -0.884 . . . . 25.0 110.798 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.02 85.86 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.409 -0.359 . . . . 25.0 111.471 -178.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -87.69 -25.99 23.21 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 121.761 0.791 . . . . 25.0 110.402 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -68.93 -35.09 76.4 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.821 -0.807 . . . . 25.0 108.821 178.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -60.8 -28.58 68.88 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-O 121.567 0.698 . . . . 25.0 111.165 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -79.34 -38.43 35.15 Favored 'General case' 0 CA--C 1.482 -1.653 0 CA-C-O 123.655 1.693 . . . . 25.0 111.06 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 57.5 mt -65.73 -47.75 84.8 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.404 0 CA-C-N 113.614 -1.63 . . . . 25.0 109.014 -176.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 25.8 ptm -62.98 -29.16 70.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.035 0.445 . . . . 25.0 110.657 -178.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 49.7 m -72.66 -17.73 61.63 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.891 0.33 . . . . 25.0 111.891 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 74.5 mt -95.19 -47.74 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.621 0 CA-C-O 121.07 0.462 . . . . 25.0 110.839 -177.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 33.2 m -74.81 -15.88 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.837 -0.62 . . . . 25.0 112.034 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -150.19 65.1 7.16 Favored Pre-proline 0 CA--C 1.541 0.627 0 N-CA-C 113.341 0.867 . . . . 25.0 113.341 -175.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -74.15 -5.46 17.01 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 117.543 -1.171 . . . . 25.0 111.528 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.77 -11.38 51.19 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.159 -0.473 . . . . 25.0 110.901 -178.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 60.12 47.44 9.48 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.82 0.848 . . . . 25.0 111.085 -177.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 89.1 mt -72.81 -26.46 61.51 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.997 -1.112 . . . . 25.0 107.997 175.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.01 18.25 61.49 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 114.907 -1.042 . . . . 25.0 110.927 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 13.9 m -149.18 158.06 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 109.713 -0.476 . . . . 25.0 109.713 -175.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 11.4 t -130.14 133.97 63.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.463 -0.569 . . . . 25.0 109.463 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.26 161.65 13.71 Favored 'General case' 0 CA--C 1.508 -0.66 0 N-CA-C 108.985 -0.746 . . . . 25.0 108.985 178.248 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -54.08 -41.24 68.01 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-O 121.787 0.804 . . . . 25.0 110.433 177.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -21.57 58.93 Favored 'General case' 0 C--N 1.316 -0.879 0 O-C-N 121.188 -0.945 . . . . 25.0 109.973 -175.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -75.8 -41.98 51.31 Favored 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 120.404 -0.518 . . . . 25.0 111.23 -177.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 812' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.8 -30.56 70.79 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 119.637 -0.825 . . . . 25.0 109.452 176.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 17.3 mm -64.81 -25.9 38.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 N-CA-C 109.663 -0.495 . . . . 25.0 109.663 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -63.15 -43.57 97.93 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 121.291 -0.881 . . . . 25.0 110.85 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -77.29 -23.44 51.09 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 119.022 -1.071 . . . . 25.0 111.355 177.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -29.96 67.54 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 106.871 -1.529 . . . . 25.0 106.871 179.26 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 41.2 t -63.17 -27.04 69.09 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 121.287 -0.883 . . . . 25.0 109.8 175.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 39.5 mmt-85 -75.66 -32.4 60.17 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-O 118.876 -0.583 . . . . 25.0 112.479 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.57 -30.81 59.79 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 108.941 -0.763 . . . . 25.0 108.941 176.463 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 95.8 m -63.33 -35.46 80.46 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-O 121.697 0.761 . . . . 25.0 109.166 175.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . 52.46 40.07 28.92 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 114.731 -1.122 . . . . 25.0 113.973 175.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -109.87 148.79 30.88 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.978 -0.749 . . . . 25.0 108.978 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 8.8 t -162.39 18.29 0.09 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.953 -0.567 . . . . 25.0 109.525 -177.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -65.62 145.05 56.53 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.791 1.034 . . . . 25.0 113.791 -176.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 60.1 p -125.41 -6.08 7.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.744 -1.117 . . . . 25.0 110.181 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -72.16 -31.67 66.16 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.59 -0.152 . . . . 25.0 110.59 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -52.43 -38.27 58.74 Favored 'General case' 0 C--O 1.212 -0.882 0 N-CA-C 110.315 -0.254 . . . . 25.0 110.315 177.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -55.39 -50.11 70.58 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.993 0.738 . . . . 25.0 112.993 -178.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 11.4 p -78.36 -32.9 17.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.124 -0.695 . . . . 25.0 109.124 -175.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 9.5 tpt -66.62 -39.12 88.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.529 0.68 . . . . 25.0 110.215 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -63.61 -36.22 83.1 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.697 -0.683 . . . . 25.0 110.405 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 57.7 p -61.89 -42.12 98.7 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 120.734 -0.386 . . . . 25.0 111.255 -178.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -64.66 -38.07 89.75 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 122.054 0.931 . . . . 25.0 110.07 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -69.32 -20.13 63.87 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.398 -0.819 . . . . 25.0 112.862 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 52.7 mt -81.25 -40.67 18.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 107.649 -1.241 . . . . 25.0 107.649 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.62 -31.63 24.13 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.849 -0.74 . . . . 25.0 111.654 -175.074 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.525 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -106.7 17.54 23.09 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 112.156 0.428 . . . . 25.0 112.156 -177.354 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -65.21 -8.71 38.22 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.75 -0.94 . . . . 25.0 110.75 173.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -80.64 -21.68 41.22 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 122.681 0.393 . . . . 25.0 110.021 175.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -129.82 -162.65 1.22 Allowed 'General case' 0 C--O 1.217 -0.651 0 CA-C-O 121.671 0.748 . . . . 25.0 110.69 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -120.21 11.71 11.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.217 -0.901 . . . . 25.0 108.727 178.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -157.59 173.35 16.99 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 107.117 -1.438 . . . . 25.0 107.117 -176.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 843' ' ' ILE . . . . . 0.525 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.9 OUTLIER -136.67 154.24 31.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 107.755 -1.202 . . . . 25.0 107.755 -176.894 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 40.6 p -102.33 160.67 14.33 Favored 'General case' 0 C--N 1.31 -1.135 0 O-C-N 120.869 -1.145 . . . . 25.0 109.021 173.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 74.3 mtm -59.75 -31.83 70.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.049 -0.978 . . . . 25.0 110.202 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -70.88 -42.66 69.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.312 0.577 . . . . 25.0 109.899 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -65.24 -45.72 83.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.272 -0.422 . . . . 25.0 111.889 -178.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.6 pp -71.15 -26.69 63.11 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.608 -0.837 . . . . 25.0 111.193 -177.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -71.75 -9.91 58.98 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.802 -0.561 . . . . 25.0 111.535 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 850' ' ' ARG . . . . . 0.433 ' HG2' ' HG2' ' A' ' 851' ' ' GLU . 6.0 ptm180 -71.06 -27.98 64.03 Favored 'General case' 0 C--O 1.221 -0.434 0 O-C-N 121.343 -0.848 . . . . 25.0 109.069 179.033 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 851' ' ' GLU . . . . . 0.433 ' HG2' ' HG2' ' A' ' 850' ' ' ARG . 13.4 mm-40 -83.8 -40.71 18.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.269 -0.878 . . . . 25.0 110.222 -176.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.81 82.03 65.58 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.372 -0.831 . . . . 25.0 109.409 -178.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -62.27 -26.85 77.58 Favored 'Trans proline' 0 CA--C 1.558 1.722 0 N-CA-C 118.635 2.514 . . . . 25.0 118.635 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -77.54 -162.62 0.18 Allowed 'Trans proline' 0 C--N 1.362 1.278 1 C-N-CA 113.249 -4.034 . . . . 25.0 111.953 177.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -55.51 -15.97 3.34 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 114.883 1.438 . . . . 25.0 114.883 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -51.36 -38.58 53.99 Favored 'General case' 0 C--O 1.218 -0.556 0 O-C-N 121.867 -0.52 . . . . 25.0 111.485 174.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -66.31 -37.97 86.65 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 122.047 -0.408 . . . . 25.0 111.406 177.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -68.05 -38.85 82.94 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.144 -0.688 . . . . 25.0 109.144 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -65.62 -31.03 71.83 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.195 -0.669 . . . . 25.0 109.195 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 59.2 m -72.8 -42.66 63.67 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 109.887 -0.412 . . . . 25.0 109.887 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 23.8 mt -62.1 -38.49 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 109.572 -0.529 . . . . 25.0 109.572 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -63.84 -17.91 63.62 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.557 0.577 . . . . 25.0 112.557 177.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -109.01 -22.72 12.03 Favored 'General case' 0 C--O 1.219 -0.553 0 O-C-N 121.497 -0.752 . . . . 25.0 112.843 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 6.9 ttm -68.4 164.68 20.4 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-O 121.104 0.478 . . . . 25.0 111.356 -177.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -95.4 145.68 29.97 Favored Pre-proline 0 N--CA 1.44 -0.967 0 N-CA-C 107.023 -1.473 . . . . 25.0 107.023 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -75.85 154.58 38.66 Favored 'Trans proline' 0 CA--C 1.52 -0.185 0 CA-C-N 118.665 0.559 . . . . 25.0 112.331 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -112.38 131.4 55.56 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.188 0.518 . . . . 25.0 110.768 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 5.0 t -137.28 40.97 2.45 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 122.402 1.096 . . . . 25.0 108.313 -177.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -90.35 -170.48 43.7 Favored Glycine 0 C--O 1.227 -0.329 0 CA-C-N 115.38 -0.827 . . . . 25.0 114.085 -177.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -68.99 -30.31 26.06 Favored 'Trans proline' 0 C--O 1.217 -0.536 0 CA-C-N 118.319 1.059 . . . . 25.0 114.73 -178.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -98.95 28.68 4.22 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.77 0.795 . . . . 25.0 109.305 -177.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 59.7 p -77.19 152.35 34.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.962 0.887 . . . . 25.0 113.368 -175.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 13.7 m -136.61 161.75 60.12 Favored Pre-proline 0 C--N 1.318 -0.8 0 N-CA-C 105.227 -2.138 . . . . 25.0 105.227 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -58.71 -17.38 35.48 Favored 'Trans proline' 0 C--N 1.353 0.77 0 N-CA-C 115.733 1.397 . . . . 25.0 115.733 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -114.14 32.5 5.92 Favored Glycine 0 C--O 1.23 -0.128 0 C-N-CA 121.742 -0.266 . . . . 25.0 113.107 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -93.34 139.84 30.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.295 0.569 . . . . 25.0 112.152 -177.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 76.6 mt -136.39 141.88 43.7 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.401 -0.963 . . . . 25.0 108.401 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -89.9 104.39 16.96 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 106.418 -1.697 . . . . 25.0 106.418 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -78.61 -33.37 47.45 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.403 -0.817 . . . . 25.0 108.993 -177.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 11.1 ttp -62.78 -30.2 71.28 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.871 -0.788 . . . . 25.0 108.871 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 8.1 t -81.97 -24.36 35.54 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.075 -0.966 . . . . 25.0 112.646 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -56.76 -41.06 76.94 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 122.094 -0.379 . . . . 25.0 111.725 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 22.0 t -55.04 -19.99 8.37 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.723 1.008 . . . . 25.0 113.723 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 31.1 p -108.74 -17.63 13.9 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 114.059 1.133 . . . . 25.0 114.059 -177.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -156.93 142.43 17.49 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 -177.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -141.33 146.44 36.72 Favored 'General case' 0 C--O 1.222 -0.392 0 N-CA-C 107.57 -1.27 . . . . 25.0 107.57 177.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -111.83 -9.98 14.04 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.146 0.498 . . . . 25.0 111.141 178.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -85.05 26.72 5.32 Favored Glycine 0 C--O 1.221 -0.705 0 CA-C-N 116.223 -0.444 . . . . 25.0 113.279 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -84.42 -15.19 47.1 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.095 -1.446 . . . . 25.0 107.095 177.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 61.4 p -122.36 56.59 1.11 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.298 -0.865 . . . . 25.0 108.847 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -94.04 14.09 20.92 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.76 -0.654 . . . . 25.0 111.934 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 92.1 mt . . . . . 0 C--O 1.252 1.219 0 CA-C-O 117.792 -1.099 . . . . 25.0 110.983 -178.763 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.292 0 CA-C-O 118.51 -1.161 . . . . 25.0 110.925 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 36.5 m -53.5 117.45 3.1 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 117.941 0.871 . . . . 25.0 112.573 -176.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 47.6 m -101.07 82.62 2.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.677 -0.692 . . . . 25.0 112.831 -178.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -59.39 141.6 16.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 N-CA-C 109.045 -0.724 . . . . 25.0 109.045 174.331 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 28.6 m -81.68 165.39 21.06 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.779 -0.452 . . . . 25.0 109.779 177.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -64.47 -33.53 76.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 120.936 -1.102 . . . . 25.0 108.925 177.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -74.66 -24.22 58.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.498 -0.319 . . . . 25.0 110.661 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -74.43 -57.36 3.99 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.438 0.637 . . . . 25.0 110.092 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 24.8 ptp -57.59 -24.29 55.48 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.595 -0.691 . . . . 25.0 110.533 177.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.05 -56.17 21.7 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 110.221 -0.288 . . . . 25.0 110.221 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.92 -34.55 73.62 Favored 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 109.965 -0.383 . . . . 25.0 109.965 -177.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -59.73 -49.07 79.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.519 0.676 . . . . 25.0 110.131 176.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -67.4 -44.09 79.68 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 116.332 -0.395 . . . . 25.0 110.002 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.0 89.49 Favored 'General case' 0 C--O 1.209 -1.05 0 CA-C-O 119.385 -0.341 . . . . 25.0 111.324 -177.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 51.1 m -67.57 -44.36 78.39 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 118.406 0.548 . . . . 25.0 111.19 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -41.44 97.0 Favored 'General case' 0 C--O 1.206 -1.201 0 N-CA-C 108.591 -0.892 . . . . 25.0 108.591 176.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.73 -31.58 69.64 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 112.817 0.673 . . . . 25.0 112.817 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -68.13 -32.72 73.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.854 -0.529 . . . . 25.0 110.178 -178.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -91.1 -38.69 12.6 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 109.1 -0.704 . . . . 25.0 109.1 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -89.84 69.57 7.56 Favored 'General case' 0 CA--C 1.498 -1.019 0 CA-C-O 122.506 1.146 . . . . 25.0 109.657 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -78.74 -0.87 31.99 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.357 -1.292 . . . . 25.0 110.766 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -92.27 -11.52 35.03 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.657 -0.868 . . . . 25.0 108.657 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 54.02 38.14 28.31 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.243 1.017 . . . . 25.0 111.159 -178.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 33.8 t -70.63 -23.51 62.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 122.298 1.046 . . . . 25.0 109.541 177.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 88.52 0.61 81.91 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 109.663 -1.375 . . . . 25.0 109.663 -178.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 5.9 p -148.16 159.8 43.57 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 108.557 -0.905 . . . . 25.0 108.557 -176.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 766' ' ' LEU . . . . . 0.481 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 16.0 mt -141.76 172.72 12.3 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 108.401 -0.962 . . . . 25.0 108.401 177.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -78.04 172.7 55.21 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.268 -0.733 . . . . 25.0 111.268 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -66.88 -30.13 40.56 Favored 'Trans proline' 0 C--O 1.224 -0.201 0 CA-C-N 118.636 1.218 . . . . 25.0 112.512 -177.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -82.28 -36.99 26.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.169 0.509 . . . . 25.0 111.249 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.03 -54.33 39.89 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 121.193 0.52 . . . . 25.0 110.218 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 771' ' ' PHE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.4 OUTLIER -60.79 -30.75 70.23 Favored 'General case' 0 C--O 1.214 -0.804 0 N-CA-C 113.071 0.767 . . . . 25.0 113.071 174.865 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -64.16 -44.66 91.39 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 118.829 0.741 . . . . 25.0 109.633 177.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -74.17 -23.55 59.25 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.6 0.714 . . . . 25.0 111.843 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 42.1 t -63.35 -35.96 82.12 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.482 -0.933 . . . . 25.0 108.482 175.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 17.1 mt -65.73 -32.91 74.73 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 120.885 0.374 . . . . 25.0 110.845 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 65.3 mt -59.18 -33.55 50.97 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 N-CA-C 109.581 -0.526 . . . . 25.0 109.581 -177.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 16.4 m -65.2 -18.25 65.16 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.608 0.596 . . . . 25.0 112.608 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 22.8 mt -94.7 -18.05 21.65 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-O 121.725 0.774 . . . . 25.0 110.404 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 115.47 35.48 1.29 Allowed Glycine 0 C--N 1.329 0.171 0 CA-C-N 115.121 -0.945 . . . . 25.0 114.93 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -101.24 134.2 44.65 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.764 -0.828 . . . . 25.0 108.764 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -85.08 48.74 1.61 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.913 0.885 . . . . 25.0 110.86 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 41.5 mt -125.11 77.74 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 107.971 -1.122 . . . . 25.0 107.971 -174.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -136.47 68.59 0.52 Allowed Glycine 0 C--O 1.215 -1.047 0 N-CA-C 116.196 1.238 . . . . 25.0 116.196 -175.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 61.7 t30 67.4 16.12 9.98 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-O 122.15 0.976 . . . . 25.0 110.864 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -82.99 151.19 63.22 Favored Pre-proline 0 C--N 1.318 -0.791 0 N-CA-C 106.767 -1.568 . . . . 25.0 106.767 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.6 -20.46 30.82 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 115.361 -2.626 . . . . 25.0 112.734 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -79.9 -37.7 34.14 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.995 -1.113 . . . . 25.0 107.995 178.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -63.99 -43.91 96.71 Favored Glycine 0 C--O 1.206 -1.601 0 N-CA-C 108.704 -1.758 . . . . 25.0 108.704 178.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -60.34 -34.81 74.36 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.55 -0.971 . . . . 25.0 112.096 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.5 -36.8 84.98 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.762 -0.199 . . . . 25.0 111.35 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -88.76 -28.5 20.45 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.474 0.654 . . . . 25.0 110.956 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -66.87 -34.5 77.93 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.338 -0.986 . . . . 25.0 108.338 178.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -60.37 -29.1 68.71 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.464 0.649 . . . . 25.0 110.796 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -79.78 -39.79 30.14 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.025 -1.102 . . . . 25.0 108.025 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 58.4 mt -63.72 -49.95 79.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 114.831 -1.077 . . . . 25.0 110.584 -176.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 5.6 ptt? -60.73 -24.77 65.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.035 0.445 . . . . 25.0 111.99 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 50.8 m -78.6 -18.39 54.64 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.987 0.423 . . . . 25.0 111.453 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 63.8 mt -94.23 -49.56 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.718 0 CA-C-O 121.294 0.569 . . . . 25.0 110.29 -178.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 22.0 m -76.4 -11.94 14.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.724 -0.671 . . . . 25.0 112.731 -176.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -153.04 68.71 6.75 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.565 -0.743 . . . . 25.0 111.705 -177.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -74.43 -12.73 22.83 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 116.848 -1.635 . . . . 25.0 112.133 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.85 -5.49 59.23 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 120.97 0.414 . . . . 25.0 110.918 -177.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 57.76 45.1 19.32 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 121.929 0.871 . . . . 25.0 112.427 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 85.1 mt -70.13 -23.41 63.01 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.406 -1.27 . . . . 25.0 108.695 176.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 84.52 18.43 62.12 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.324 -0.853 . . . . 25.0 111.396 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 11.1 m -147.07 159.42 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 109.331 -0.618 . . . . 25.0 109.331 -175.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 16.8 t -131.71 135.23 59.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 123.265 0.626 . . . . 25.0 109.442 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 9.0 t -100.56 158.92 15.57 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.522 -0.547 . . . . 25.0 109.522 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -50.52 -45.92 56.94 Favored 'General case' 0 C--O 1.22 -0.447 0 CA-C-O 121.611 0.719 . . . . 25.0 111.421 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -22.11 62.12 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.037 -0.665 . . . . 25.0 110.34 -175.237 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -75.79 -40.09 55.76 Favored 'General case' 0 C--O 1.217 -0.653 0 C-N-CA 119.728 -0.789 . . . . 25.0 111.491 -177.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.439 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.0 OUTLIER -68.66 -31.87 71.31 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.114 -0.991 . . . . 25.0 110.012 177.43 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 18.1 mm -63.3 -27.92 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-O 121.428 0.633 . . . . 25.0 109.816 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -61.08 -42.51 98.63 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 121.523 -0.735 . . . . 25.0 110.817 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 815' ' ' PHE . . . . . 0.439 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.1 p90 -83.49 -23.44 32.16 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 119.345 -0.942 . . . . 25.0 112.267 179.207 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -63.4 -31.24 72.34 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 107.885 -1.154 . . . . 25.0 107.885 -178.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 16.7 t -63.1 -29.51 70.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.046 -0.524 . . . . 25.0 111.529 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -75.24 -31.42 60.82 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 120.923 0.392 . . . . 25.0 110.092 -178.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -76.78 -34.21 58.01 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.395 -0.82 . . . . 25.0 109.105 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 22.4 m -72.74 -17.86 61.56 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-O 121.932 0.873 . . . . 25.0 110.072 175.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . 56.11 38.4 29.85 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 114.886 -1.052 . . . . 25.0 112.628 178.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 48.42 44.89 20.67 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 119.134 3.013 . . . . 25.0 119.134 175.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 20.6 p -78.01 128.68 34.25 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.476 -0.784 . . . . 25.0 110.448 175.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -107.43 135.71 48.45 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.016 0.747 . . . . 25.0 113.016 -175.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 9.9 p -71.5 -21.93 61.86 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 114.243 1.201 . . . . 25.0 114.243 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -67.93 -29.23 68.24 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 120.687 0.28 . . . . 25.0 110.647 -178.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.56 -35.59 81.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.15 0.5 . . . . 25.0 111.124 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -60.37 -47.24 86.94 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.527 0.68 . . . . 25.0 112.797 -176.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 12.5 p -73.14 -33.83 43.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.92 -0.582 . . . . 25.0 109.58 -176.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -42.08 89.16 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 109.263 -0.643 . . . . 25.0 109.263 177.081 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.99 96.09 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.091 -0.337 . . . . 25.0 110.091 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 8.6 t -59.91 -47.52 85.42 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 121.011 -0.276 . . . . 25.0 110.929 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -62.14 -41.44 98.27 Favored 'General case' 0 C--O 1.202 -1.439 0 C-N-CA 119.962 -0.695 . . . . 25.0 109.368 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -57.33 -26.03 60.3 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.914 0.709 . . . . 25.0 112.914 -176.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 46.3 mt -74.82 -45.17 44.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.786 -0.45 . . . . 25.0 109.786 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.93 -26.03 27.49 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.757 0.789 . . . . 25.0 112.148 -176.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.647 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -85.07 -12.63 52.57 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.864 -0.607 . . . . 25.0 112.615 -176.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -56.54 -22.88 40.7 Favored Glycine 0 CA--C 1.526 0.729 0 O-C-N 123.817 0.698 . . . . 25.0 114.292 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.49 -20.94 64.63 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 120.807 0.337 . . . . 25.0 111.045 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -132.6 -156.94 0.78 Allowed 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 108.08 -1.081 . . . . 25.0 108.08 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -125.87 18.01 7.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.359 0.6 . . . . 25.0 109.643 174.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -160.15 177.57 10.55 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 106.94 -1.504 . . . . 25.0 106.94 -178.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 843' ' ' ILE . . . . . 0.647 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.3 OUTLIER -134.63 151.35 31.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 107.871 -1.159 . . . . 25.0 107.871 -177.552 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 67.3 p -98.59 159.96 14.6 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 119.822 -0.751 . . . . 25.0 109.822 173.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 71.7 mtm -57.85 -31.84 67.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.765 -1.107 . . . . 25.0 111.906 176.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -73.83 -40.73 63.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.526 0.679 . . . . 25.0 110.73 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -64.88 -47.37 78.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.969 -0.559 . . . . 25.0 111.27 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.9 pp -65.92 -26.4 67.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.399 -0.813 . . . . 25.0 111.077 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -74.85 -11.42 60.14 Favored 'General case' 0 C--O 1.221 -0.405 0 O-C-N 121.831 -0.543 . . . . 25.0 110.714 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.53 -26.89 61.92 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 109.115 -0.698 . . . . 25.0 109.115 176.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -86.19 -43.45 12.99 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.931 -0.577 . . . . 25.0 110.661 -176.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.69 79.66 71.43 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.619 -0.719 . . . . 25.0 109.322 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -59.7 -27.39 84.83 Favored 'Trans proline' 0 CA--C 1.551 1.327 0 N-CA-C 119.329 2.781 . . . . 25.0 119.329 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -75.71 -165.03 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 113.939 -3.574 . . . . 25.0 112.534 177.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -52.33 -16.2 0.8 Allowed 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.616 1.339 . . . . 25.0 114.616 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -54.07 -37.36 64.12 Favored 'General case' 0 C--O 1.214 -0.801 0 O-C-N 121.494 -0.754 . . . . 25.0 110.813 174.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.37 -38.67 92.07 Favored 'General case' 0 C--O 1.209 -1.056 0 N-CA-C 110.383 -0.228 . . . . 25.0 110.383 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -69.53 -37.03 76.94 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.325 0.583 . . . . 25.0 109.774 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -67.27 -32.78 74.02 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.306 -0.998 . . . . 25.0 108.306 176.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 60.3 m -72.79 -42.26 64.11 Favored 'General case' 0 C--O 1.207 -1.164 0 N-CA-C 109.878 -0.415 . . . . 25.0 109.878 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 20.0 mt -62.07 -41.82 92.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.588 -0.893 . . . . 25.0 108.588 178.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -62.75 -27.19 69.11 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 112.159 0.429 . . . . 25.0 112.159 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -99.22 -18.23 17.73 Favored 'General case' 0 C--O 1.209 -1.05 0 N-CA-C 112.877 0.695 . . . . 25.0 112.877 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 9.3 ttm -75.28 166.3 23.84 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 118.498 0.59 . . . . 25.0 111.264 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -96.65 145.71 30.05 Favored Pre-proline 0 C--N 1.321 -0.658 0 N-CA-C 107.557 -1.275 . . . . 25.0 107.557 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -75.7 148.94 33.26 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 120.655 0.904 . . . . 25.0 112.853 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -112.55 123.08 49.49 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 113.782 1.03 . . . . 25.0 113.782 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 70.5 p -126.1 43.75 3.01 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 109.303 -0.628 . . . . 25.0 109.303 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -87.53 -169.82 45.87 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 121.347 -0.454 . . . . 25.0 113.497 -177.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -71.61 -21.96 24.93 Favored 'Trans proline' 0 C--N 1.348 0.513 0 CA-C-N 118.757 1.279 . . . . 25.0 114.876 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -103.73 21.6 15.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 122.08 0.943 . . . . 25.0 109.075 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 25.2 p -73.5 149.94 41.93 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 122.606 1.193 . . . . 25.0 113.566 -172.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 17.0 m -132.39 161.92 60.17 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 103.319 -2.845 . . . . 25.0 103.319 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -57.28 -23.0 51.97 Favored 'Trans proline' 0 C--N 1.35 0.611 0 N-CA-C 115.945 1.479 . . . . 25.0 115.945 -177.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -109.03 33.95 5.84 Favored Glycine 0 C--O 1.222 -0.629 0 C-N-CA 121.532 -0.366 . . . . 25.0 113.618 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -91.31 138.49 31.55 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 113.135 0.791 . . . . 25.0 113.135 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 66.1 mt -135.88 138.6 42.62 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.434 -0.951 . . . . 25.0 108.434 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -89.05 101.56 14.21 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 106.6 -1.629 . . . . 25.0 106.6 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -71.56 -36.03 70.81 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 114.637 -1.165 . . . . 25.0 109.359 -177.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.46 -26.72 67.33 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.219 0.533 . . . . 25.0 110.096 -177.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 4.6 t -84.8 -16.0 42.95 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 -178.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -57.68 -38.38 75.05 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.838 0.351 . . . . 25.0 111.271 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.13 -18.68 3.97 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 114.434 1.272 . . . . 25.0 114.434 174.455 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 37.0 p -109.42 -14.17 14.47 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 114.605 1.335 . . . . 25.0 114.605 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -158.49 150.42 21.42 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.732 1.012 . . . . 25.0 113.732 -176.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -148.11 158.93 44.35 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 105.047 -2.205 . . . . 25.0 105.047 177.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -130.84 -23.48 2.52 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.044 0.757 . . . . 25.0 113.044 178.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -97.04 47.36 1.64 Allowed Glycine 0 C--O 1.222 -0.614 0 N-CA-C 114.13 0.412 . . . . 25.0 114.13 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -68.31 137.67 54.85 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 106.737 -1.579 . . . . 25.0 106.737 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 47.0 m -158.31 43.11 0.28 Allowed 'General case' 0 N--CA 1.471 0.591 0 O-C-N 122.011 -0.43 . . . . 25.0 111.55 -175.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -112.65 33.2 5.11 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.757 0.789 . . . . 25.0 109.558 -176.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 69.3 tp . . . . . 0 C--O 1.25 1.087 0 CA-C-N 114.621 -1.172 . . . . 25.0 109.863 -179.741 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.494 -1.245 0 N-CA-C 112.471 -0.251 . . . . 25.0 112.471 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 66.5 m -106.81 175.84 5.37 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 108.143 -1.058 . . . . 25.0 108.143 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 68.4 p -141.3 157.9 44.6 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 103.727 -2.694 . . . . 25.0 103.727 175.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 2.0 mt -62.27 130.49 26.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.695 0.76 . . . . 25.0 110.324 -177.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 78.3 p -87.12 172.21 10.12 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.16 -1.422 . . . . 25.0 107.16 174.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -65.74 -28.58 69.15 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.475 -0.89 . . . . 25.0 109.392 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -76.59 -31.96 57.8 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 115.355 -0.839 . . . . 25.0 111.35 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -66.52 -55.89 13.43 Favored 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 108.718 -0.845 . . . . 25.0 108.718 177.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 21.4 ptp -59.66 -23.95 63.49 Favored 'General case' 0 C--O 1.21 -1.015 0 C-N-CA 119.548 -0.861 . . . . 25.0 111.318 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.91 -55.69 23.81 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.939 -0.763 . . . . 25.0 108.939 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.01 -34.73 75.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.888 0.313 . . . . 25.0 110.694 -178.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -59.3 -50.23 74.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.053 -0.405 . . . . 25.0 110.666 175.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -66.71 -41.74 87.48 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 109.456 -0.572 . . . . 25.0 109.456 -178.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.87 -39.63 90.9 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 112.375 0.509 . . . . 25.0 112.375 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 48.8 m -66.95 -43.53 82.9 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 118.4 0.546 . . . . 25.0 109.958 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -41.88 97.4 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 108.569 -0.9 . . . . 25.0 108.569 177.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.0 -33.91 76.6 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.946 0.721 . . . . 25.0 112.946 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -69.4 -37.06 77.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.429 0.633 . . . . 25.0 110.266 -178.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -84.81 -35.92 22.0 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 108.472 -0.936 . . . . 25.0 108.472 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -94.33 70.84 3.77 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 122.616 1.198 . . . . 25.0 109.453 -178.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 20.8 mtm105 -80.69 1.05 31.73 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.302 -1.317 . . . . 25.0 110.361 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -94.89 -10.86 29.94 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.201 -1.407 . . . . 25.0 107.201 177.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 45.4 m80 51.43 39.04 23.53 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.745 1.218 . . . . 25.0 112.353 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 15.7 m -71.99 -23.12 61.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.568 -0.742 . . . . 25.0 109.745 177.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 90.93 2.05 72.27 Favored Glycine 0 C--O 1.239 0.428 0 N-CA-C 109.136 -1.586 . . . . 25.0 109.136 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -150.65 156.18 40.83 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 123.702 0.801 . . . . 25.0 108.876 -175.497 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 766' ' ' LEU . . . . . 0.459 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 22.6 mt -137.36 174.55 10.48 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 107.4 -1.333 . . . . 25.0 107.4 176.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -84.5 -178.66 51.38 Favored Glycine 0 C--O 1.241 0.585 0 N-CA-C 111.331 -0.707 . . . . 25.0 111.331 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.4 -27.79 22.97 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 121.623 1.548 . . . . 25.0 114.096 -175.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -85.83 -37.74 18.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.052 0.453 . . . . 25.0 110.007 -178.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -66.78 -50.76 61.65 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 116.01 -0.541 . . . . 25.0 111.077 -178.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 771' ' ' PHE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -62.3 -32.53 73.28 Favored 'General case' 0 C--O 1.213 -0.852 0 C-N-CA 120.222 -0.591 . . . . 25.0 112.096 173.769 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -62.67 -44.62 95.8 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 118.682 0.674 . . . . 25.0 110.097 177.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -73.63 -24.88 60.08 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.073 0.463 . . . . 25.0 110.322 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 45.4 t -62.93 -35.3 79.63 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.537 -0.542 . . . . 25.0 109.537 178.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 14.5 mt -66.75 -31.22 71.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.691 -0.686 . . . . 25.0 111.964 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 776' ' ' ILE . . . . . 0.466 HD11 ' HA2' ' A' ' 783' ' ' GLY . 66.3 mt -59.42 -34.61 54.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 O-C-N 121.645 -0.659 . . . . 25.0 109.928 -177.423 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.41 -21.66 64.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.986 -0.552 . . . . 25.0 112.118 178.301 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 14.9 mt -94.16 -16.36 23.79 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 123.492 0.495 . . . . 25.0 110.906 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 117.6 30.65 1.8 Allowed Glycine 0 C--O 1.218 -0.845 0 CA-C-N 116.052 -0.522 . . . . 25.0 114.353 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -99.36 131.83 45.11 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 109.461 -0.57 . . . . 25.0 109.461 -177.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -83.97 46.9 1.24 Allowed 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 122.341 1.067 . . . . 25.0 110.588 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 29.6 mt -118.56 71.23 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 N-CA-C 107.498 -1.297 . . . . 25.0 107.498 -175.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 783' ' ' GLY . . . . . 0.466 ' HA2' HD11 ' A' ' 776' ' ' ILE . . . -97.88 34.98 4.81 Favored Glycine 0 C--O 1.222 -0.622 0 CA-C-N 114.639 -1.164 . . . . 25.0 114.993 -172.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 37.9 t30 64.63 15.1 9.48 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.317 1.047 . . . . 25.0 111.31 -176.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -75.34 160.99 78.62 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 105.303 -2.11 . . . . 25.0 105.303 176.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.52 -19.6 42.42 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 115.921 -2.253 . . . . 25.0 114.016 -174.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -78.83 -38.36 38.3 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 108.01 -1.108 . . . . 25.0 108.01 177.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -66.78 -39.37 93.55 Favored Glycine 0 C--O 1.207 -1.554 0 N-CA-C 109.023 -1.631 . . . . 25.0 109.023 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.51 -35.77 78.63 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 121.636 -0.92 . . . . 25.0 111.831 177.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.21 -38.56 91.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.742 0.306 . . . . 25.0 111.263 -179.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -87.13 -28.44 22.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.242 0.544 . . . . 25.0 110.729 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -31.61 72.47 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.402 -0.962 . . . . 25.0 108.402 177.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -60.33 -28.7 68.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.654 0.74 . . . . 25.0 110.753 177.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -77.6 -42.28 35.62 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 108.312 -0.995 . . . . 25.0 108.312 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.422 HG23 ' CE2' ' A' ' 815' ' ' PHE . 68.3 mt -64.15 -49.86 79.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 114.079 -1.419 . . . . 25.0 110.49 -174.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 16.3 ptt? -61.33 -25.15 66.95 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 116.579 -0.282 . . . . 25.0 111.616 -178.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 49.9 m -76.83 -19.61 57.33 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 116.561 -0.29 . . . . 25.0 111.539 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 77.8 mt -92.45 -49.34 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-O 121.767 0.794 . . . . 25.0 109.718 -178.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 18.8 m -76.18 -13.21 14.73 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 CA-C-N 115.175 -0.92 . . . . 25.0 112.888 -176.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -154.14 68.15 5.91 Favored Pre-proline 0 C--O 1.25 1.094 0 CA-C-N 115.306 -0.861 . . . . 25.0 112.125 -175.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -72.98 -12.89 26.24 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 117.624 -1.117 . . . . 25.0 111.75 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.17 -5.3 59.34 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 110.475 -0.194 . . . . 25.0 110.475 -178.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 57.92 42.16 23.43 Favored 'General case' 0 C--O 1.219 -0.509 0 O-C-N 124.597 1.185 . . . . 25.0 111.648 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 83.5 mt -69.17 -25.94 64.6 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.808 -1.087 . . . . 25.0 109.806 177.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 84.31 22.08 55.2 Favored Glycine 0 C--O 1.224 -0.514 0 N-CA-C 111.135 -0.786 . . . . 25.0 111.135 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 5.6 m -146.0 155.42 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 109.145 -0.687 . . . . 25.0 109.145 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 14.0 t -132.07 133.25 60.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.41 -0.814 . . . . 25.0 110.084 -177.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.38 160.66 14.2 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 109.027 -0.731 . . . . 25.0 109.027 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -52.26 -42.95 64.09 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.41 0.624 . . . . 25.0 110.862 177.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -23.23 60.3 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.722 -0.611 . . . . 25.0 109.565 -174.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -73.96 -42.47 60.47 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 119.602 -0.839 . . . . 25.0 111.549 -176.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.436 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.4 p90 -68.27 -30.31 69.3 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 119.198 -1.001 . . . . 25.0 109.919 179.009 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 16.3 mm -62.15 -27.22 42.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.393 0.616 . . . . 25.0 110.767 177.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -62.87 -41.11 99.26 Favored 'General case' 0 C--N 1.319 -0.74 0 O-C-N 121.749 -0.595 . . . . 25.0 110.768 -178.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 815' ' ' PHE . . . . . 0.436 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 5.8 p90 -84.52 -24.67 29.25 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 119.352 -0.939 . . . . 25.0 112.062 178.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.71 -29.67 70.83 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 108.788 -0.819 . . . . 25.0 108.788 -178.219 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 32.6 t -61.94 -21.91 65.18 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.274 -0.875 . . . . 25.0 112.364 177.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -90.99 -23.77 20.29 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-O 121.163 0.506 . . . . 25.0 111.945 -178.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -80.42 -36.46 33.67 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.226 0.536 . . . . 25.0 110.275 -178.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 30.8 p -90.25 13.2 15.91 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.656 0.741 . . . . 25.0 110.942 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -57.44 -28.67 63.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.499 -1.228 . . . . 25.0 112.468 -178.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -138.14 148.1 44.58 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.23 -0.655 . . . . 25.0 109.23 177.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 4.1 m -160.57 143.62 13.28 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 107.607 -1.257 . . . . 25.0 107.607 -177.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -84.29 152.37 24.19 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 107.735 -1.209 . . . . 25.0 107.735 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 21.7 p -64.58 -28.66 69.78 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 113.237 0.829 . . . . 25.0 113.237 -175.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -77.58 -30.69 52.64 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.81 -0.811 . . . . 25.0 108.81 178.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -71.42 -32.03 67.92 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.613 -0.435 . . . . 25.0 110.099 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -55.14 -47.24 75.35 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.378 0.609 . . . . 25.0 111.117 178.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 14.5 p -76.26 -33.2 23.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.569 0.699 . . . . 25.0 110.105 -176.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 2.6 ttm -65.56 -43.11 90.87 Favored 'General case' 0 C--O 1.238 0.45 0 O-C-N 121.463 -0.773 . . . . 25.0 110.306 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -61.96 -37.31 84.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.088 -0.505 . . . . 25.0 109.737 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 27.0 m -63.05 -43.39 98.78 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.896 0.379 . . . . 25.0 110.079 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -66.6 -35.48 80.31 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 121.449 -0.782 . . . . 25.0 110.797 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -61.12 -27.73 68.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.304 -0.407 . . . . 25.0 111.469 -177.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 53.0 mt -72.84 -46.03 54.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.139 -0.689 . . . . 25.0 109.139 -178.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.8 -23.56 31.4 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.698 -0.801 . . . . 25.0 111.239 -173.227 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.784 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -107.66 16.51 23.62 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 112.531 0.567 . . . . 25.0 112.531 -178.34 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -65.06 -25.04 70.69 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 108.668 -1.773 . . . . 25.0 108.668 173.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -69.37 -19.69 63.84 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.017 0.377 . . . . 25.0 112.017 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -131.47 -170.04 2.3 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-O 121.334 0.587 . . . . 25.0 109.677 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -111.09 14.52 21.88 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.956 -0.465 . . . . 25.0 110.857 174.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -160.13 178.19 9.92 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 115.976 -0.556 . . . . 25.0 109.563 -177.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 843' ' ' ILE . . . . . 0.784 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.4 OUTLIER -133.68 151.66 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 N-CA-C 108.921 -0.77 . . . . 25.0 108.921 -179.039 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 58.1 p -99.66 159.09 15.31 Favored 'General case' 0 C--N 1.314 -0.976 0 O-C-N 121.416 -0.803 . . . . 25.0 109.231 174.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 71.3 mtm -62.82 -29.95 71.11 Favored 'General case' 0 C--O 1.211 -0.968 0 CA-C-N 115.043 -0.981 . . . . 25.0 109.66 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -71.07 -41.97 70.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.892 0.377 . . . . 25.0 110.742 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -65.98 -50.84 62.9 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 122.018 -0.426 . . . . 25.0 111.024 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.6 pp -63.81 -22.02 66.71 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.155 -0.618 . . . . 25.0 112.444 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 67.4 mtt-85 -74.42 -15.14 60.92 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.307 -0.871 . . . . 25.0 112.187 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -78.24 -28.08 47.74 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 108.246 -1.02 . . . . 25.0 108.246 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -76.87 -46.4 24.71 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.453 -1.249 . . . . 25.0 110.617 -175.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.45 80.6 72.18 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 114.59 -1.186 . . . . 25.0 108.875 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -61.57 -23.59 76.73 Favored 'Trans proline' 0 CA--C 1.55 1.282 0 N-CA-C 119.196 2.729 . . . . 25.0 119.196 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -77.07 -167.29 0.45 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 C-N-CA 113.4 -3.933 . . . . 25.0 111.826 174.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -50.25 -17.12 0.4 Allowed 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 115.764 1.765 . . . . 25.0 115.764 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -54.54 -39.19 67.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.429 -0.794 . . . . 25.0 111.299 177.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -65.2 -38.05 89.23 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-O 120.803 0.335 . . . . 25.0 110.585 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -66.61 -39.58 88.42 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.669 0.747 . . . . 25.0 109.557 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -67.64 -31.29 71.21 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.492 -0.776 . . . . 25.0 109.467 177.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 56.0 m -71.2 -39.19 71.95 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 109.97 -0.382 . . . . 25.0 109.97 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 20.8 mt -63.63 -37.7 80.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.357 0.599 . . . . 25.0 110.459 178.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -69.08 -21.32 64.07 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.563 0.697 . . . . 25.0 110.612 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.35 -32.3 11.94 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 112.944 0.72 . . . . 25.0 112.944 -177.053 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 4.9 ttm -68.18 166.69 15.72 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-O 121.366 0.603 . . . . 25.0 111.782 -176.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -97.71 143.91 27.05 Favored Pre-proline 0 C--N 1.314 -0.947 0 N-CA-C 107.347 -1.353 . . . . 25.0 107.347 -178.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -73.76 148.01 40.68 Favored 'Trans proline' 0 C--O 1.232 0.183 0 CA-C-O 121.866 0.694 . . . . 25.0 112.028 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -108.53 131.7 54.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.416 -0.811 . . . . 25.0 111.535 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 5.2 t -136.69 41.27 2.54 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 122.128 0.966 . . . . 25.0 108.829 -178.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -90.94 -167.92 41.68 Favored Glycine 0 N--CA 1.461 0.311 0 CA-C-N 115.646 -0.706 . . . . 25.0 113.886 -177.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -68.6 -28.2 31.72 Favored 'Trans proline' 0 C--O 1.21 -0.899 0 CA-C-N 118.53 1.165 . . . . 25.0 113.936 -177.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -96.7 19.63 12.15 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 123.115 0.566 . . . . 25.0 109.55 -175.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 81.8 p -72.96 149.09 43.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.596 1.189 . . . . 25.0 113.837 -171.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 15.7 m -137.79 162.65 53.21 Favored Pre-proline 0 C--N 1.32 -0.703 0 N-CA-C 105.442 -2.058 . . . . 25.0 105.442 -178.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -60.44 0.98 0.58 Allowed 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 122.268 1.979 . . . . 25.0 116.975 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -137.03 35.49 2.08 Favored Glycine 0 C--O 1.223 -0.577 0 N-CA-C 111.506 -0.637 . . . . 25.0 111.506 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -93.99 138.08 32.49 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.335 0.588 . . . . 25.0 112.346 -177.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 87.1 mt -137.94 139.91 40.01 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 107.513 -1.291 . . . . 25.0 107.513 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -91.12 103.93 16.56 Favored 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 107.326 -1.361 . . . . 25.0 107.326 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -73.86 -31.58 63.23 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 115.438 -0.801 . . . . 25.0 110.076 -177.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 3.8 ttm -68.74 -28.8 67.14 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.362 1.077 . . . . 25.0 109.311 -178.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.3 t -82.97 -20.71 34.68 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.776 -1.102 . . . . 25.0 112.874 -176.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -56.52 -36.8 69.61 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.334 0.494 . . . . 25.0 112.334 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 32.9 t -55.09 -18.3 5.26 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 114.146 1.165 . . . . 25.0 114.146 174.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 30.8 p -100.98 -25.44 14.07 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 114.013 1.116 . . . . 25.0 114.013 -177.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -163.22 160.14 23.65 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.041 0.448 . . . . 25.0 112.093 -177.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -139.99 152.1 46.02 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 104.608 -2.368 . . . . 25.0 104.608 176.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -113.24 -16.35 12.55 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.593 0.96 . . . . 25.0 113.593 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -93.51 39.46 2.94 Favored Glycine 0 C--O 1.229 -0.169 0 C-N-CA 121.486 -0.388 . . . . 25.0 112.894 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -71.21 150.53 45.23 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.762 -1.199 . . . . 25.0 107.762 178.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 20.0 m -91.74 -24.12 19.55 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 111.797 0.295 . . . . 25.0 111.797 -177.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 50.47 47.28 24.3 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-O 122.479 1.133 . . . . 25.0 109.172 -176.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 45.1 tp . . . . . 0 C--O 1.243 0.725 0 CA-C-N 114.005 -1.452 . . . . 25.0 111.948 -177.444 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 CA-C-O 118.856 -0.969 . . . . 25.0 111.217 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 3.4 m -63.47 141.87 58.61 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.138 1.469 . . . . 25.0 110.533 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 15.8 m -81.14 27.71 0.39 Allowed 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.537 0.684 . . . . 25.0 112.371 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 3.2 mt -71.27 128.32 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 CA-C-O 122.421 1.105 . . . . 25.0 111.762 -178.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 84.4 p -90.28 173.58 8.06 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.387 -1.278 . . . . 25.0 107.568 174.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -64.5 -33.66 76.4 Favored 'General case' 0 C--N 1.316 -0.859 0 O-C-N 121.017 -1.052 . . . . 25.0 110.641 177.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -76.86 -25.92 53.68 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 119.508 -0.282 . . . . 25.0 110.688 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.79 -58.05 5.84 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 118.782 0.719 . . . . 25.0 110.391 176.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 21.6 ptp -57.89 -26.82 62.67 Favored 'General case' 0 C--O 1.218 -0.596 0 C-N-CA 119.965 -0.694 . . . . 25.0 111.251 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -53.78 49.88 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.751 -0.659 . . . . 25.0 109.914 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -73.79 -30.07 62.54 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 122.414 -0.179 . . . . 25.0 110.676 -176.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -61.31 -49.62 76.28 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.149 -0.685 . . . . 25.0 109.149 174.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 3.6 mtp-105 -65.12 -42.69 93.67 Favored 'General case' 0 C--O 1.217 -0.63 0 N-CA-C 109.743 -0.466 . . . . 25.0 109.743 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -67.7 -38.69 84.0 Favored 'General case' 0 C--O 1.213 -0.824 0 N-CA-C 113.045 0.757 . . . . 25.0 113.045 -177.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 21.6 t -70.44 -42.61 71.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 119.107 0.867 . . . . 25.0 109.814 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -41.48 91.19 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 107.752 -1.203 . . . . 25.0 107.752 177.177 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.03 -31.49 69.16 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.747 0.647 . . . . 25.0 112.747 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -70.35 -35.84 73.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.52 -0.738 . . . . 25.0 110.411 -178.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -83.03 -37.79 23.45 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 108.583 -0.895 . . . . 25.0 108.583 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 759' ' ' ASP . . . . . 0.445 ' HA ' HD21 ' A' ' 766' ' ' LEU . 55.1 t0 -91.42 70.69 6.0 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 122.584 1.183 . . . . 25.0 109.022 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 69.9 mtm-85 -75.38 -5.43 44.85 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.475 -1.239 . . . . 25.0 110.644 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -95.54 -1.17 51.1 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.087 -1.079 . . . . 25.0 108.087 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 23.6 p80 42.34 36.96 0.82 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.58 1.552 . . . . 25.0 114.723 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 30.6 t -70.45 -25.06 63.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.722 0.772 . . . . 25.0 109.981 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 91.8 1.53 70.58 Favored Glycine 0 C--O 1.237 0.294 0 N-CA-C 109.028 -1.629 . . . . 25.0 109.028 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -148.3 153.84 39.2 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 123.372 0.669 . . . . 25.0 109.694 -176.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 766' ' ' LEU . . . . . 0.48 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 19.8 mt -139.21 172.94 12.1 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 108.231 -1.026 . . . . 25.0 108.231 177.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.58 173.95 54.85 Favored Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 110.207 -1.157 . . . . 25.0 110.207 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -67.61 -32.07 31.74 Favored 'Trans proline' 0 C--N 1.347 0.486 0 CA-C-N 117.482 0.641 . . . . 25.0 113.099 -176.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -79.1 -36.51 40.59 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 121.9 -0.5 . . . . 25.0 110.354 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -66.77 -52.14 47.65 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.241 -0.436 . . . . 25.0 110.422 -178.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 771' ' ' PHE . . . . . 0.48 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -60.72 -31.04 70.35 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 113.412 0.893 . . . . 25.0 113.412 173.865 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -64.5 -45.48 87.07 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 120.291 -0.563 . . . . 25.0 109.656 176.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.37 -25.64 62.46 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 120.865 0.364 . . . . 25.0 111.468 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 41.2 t -60.7 -37.23 80.98 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 109.225 -0.658 . . . . 25.0 109.225 177.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 13.0 mt -67.15 -32.99 74.48 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 115.728 -0.669 . . . . 25.0 111.777 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.1 mt -58.17 -33.99 48.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 O-C-N 121.781 -0.575 . . . . 25.0 110.675 -176.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 90.9 p -62.19 -21.2 64.91 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.177 0.436 . . . . 25.0 112.177 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 13.8 mt -93.71 -14.79 25.92 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-O 121.168 0.509 . . . . 25.0 111.503 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 115.61 30.29 2.24 Favored Glycine 0 C--O 1.22 -0.732 0 N-CA-C 114.468 0.547 . . . . 25.0 114.468 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -97.0 130.69 44.29 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 109.437 -0.579 . . . . 25.0 109.437 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -84.93 49.86 1.82 Allowed 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 122.268 1.032 . . . . 25.0 109.559 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 44.2 mt -126.21 74.93 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 107.515 -1.291 . . . . 25.0 107.515 -175.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -131.49 57.4 0.72 Allowed Glycine 0 N--CA 1.463 0.456 0 CA-C-N 116.185 -0.461 . . . . 25.0 113.945 -175.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 63.3 t30 69.0 16.18 8.76 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.535 1.134 . . . . 25.0 111.449 -178.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -76.09 152.93 84.46 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 105.415 -2.068 . . . . 25.0 105.415 175.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -69.57 -19.79 36.57 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 114.295 -3.337 . . . . 25.0 113.453 -176.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -81.74 -38.0 26.39 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 108.473 -0.936 . . . . 25.0 108.473 178.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -65.57 -42.39 95.63 Favored Glycine 0 C--O 1.201 -1.962 0 N-CA-C 110.862 -0.895 . . . . 25.0 110.862 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -61.29 -38.14 85.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.51 -0.994 . . . . 25.0 111.54 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -62.28 -36.78 83.13 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 116.627 -0.26 . . . . 25.0 110.309 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -89.41 -24.08 22.0 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 108.98 -0.748 . . . . 25.0 108.98 -178.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -72.13 -32.89 67.35 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 108.572 -0.899 . . . . 25.0 108.572 177.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -60.5 -30.79 69.94 Favored 'General case' 0 CA--C 1.561 1.394 0 O-C-N 123.211 0.319 . . . . 25.0 111.473 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.49 -40.2 30.3 Favored 'General case' 0 C--O 1.208 -1.096 0 N-CA-C 106.396 -1.705 . . . . 25.0 106.396 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.406 HG23 ' CE2' ' A' ' 815' ' ' PHE . 47.3 mt -59.61 -49.78 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.733 0 CA-C-N 115.269 -0.878 . . . . 25.0 109.568 -175.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 4.6 ptm -63.59 -27.36 69.19 Favored 'General case' 0 C--O 1.216 -0.667 0 C-N-CA 120.825 -0.35 . . . . 25.0 111.118 -177.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 42.1 m -75.97 -17.38 59.74 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 116.707 -0.224 . . . . 25.0 111.19 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 73.1 mt -96.23 -46.32 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-O 121.488 0.661 . . . . 25.0 110.346 -177.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.417 ' HB ' HG13 ' A' ' 807' ' ' VAL . 27.5 m -75.78 -15.81 15.45 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 CA-C-N 115.742 -0.663 . . . . 25.0 112.146 -177.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -150.63 65.2 6.91 Favored Pre-proline 0 CA--C 1.55 0.968 0 CA-C-O 121.817 0.817 . . . . 25.0 113.161 -176.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -71.91 -6.82 19.89 Favored 'Trans proline' 0 CA--C 1.534 0.494 0 C-N-CA 118.021 -0.852 . . . . 25.0 111.964 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.22 -11.42 43.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 25.0 110.844 -178.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? 57.76 50.01 11.33 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 124.295 0.997 . . . . 25.0 110.877 -176.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 86.8 mt -72.52 -26.24 61.69 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.227 -1.397 . . . . 25.0 107.227 174.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 86.69 17.83 59.36 Favored Glycine 0 C--O 1.223 -0.559 0 N-CA-C 110.322 -1.111 . . . . 25.0 110.322 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 11.1 m -148.91 156.98 7.36 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 CA-C-O 121.484 0.659 . . . . 25.0 109.674 -175.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 807' ' ' VAL . . . . . 0.417 HG13 ' HB ' ' A' ' 799' ' ' VAL . 16.7 t -129.64 132.38 66.19 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.528 0 CA-C-N 115.528 -0.76 . . . . 25.0 110.106 -177.241 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -97.42 158.57 15.4 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -50.69 -44.09 57.77 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-O 121.203 0.525 . . . . 25.0 110.648 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -24.1 61.61 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.354 -0.538 . . . . 25.0 109.93 -174.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -74.4 -41.39 61.02 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.145 -0.622 . . . . 25.0 111.666 -177.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.411 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.0 OUTLIER -68.92 -28.87 67.06 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 118.845 -1.142 . . . . 25.0 109.359 178.348 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 13.1 mm -64.76 -27.18 41.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 O-C-N 121.703 -0.623 . . . . 25.0 109.953 177.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -63.96 -46.71 83.46 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.719 -0.792 . . . . 25.0 110.071 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 815' ' ' PHE . . . . . 0.411 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.4 p90 -75.72 -24.21 56.16 Favored 'General case' 0 CA--C 1.501 -0.939 0 C-N-CA 118.899 -1.12 . . . . 25.0 109.92 -178.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.68 -34.68 78.39 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 106.073 -1.825 . . . . 25.0 106.073 -179.211 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 12.9 t -69.5 -22.46 63.6 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.692 0.627 . . . . 25.0 112.692 177.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -85.58 -35.03 21.3 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 109.381 -0.599 . . . . 25.0 109.381 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -70.98 -22.62 62.16 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 108.604 -0.887 . . . . 25.0 108.604 176.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 49.7 m -69.2 -28.87 66.76 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.096 -0.705 . . . . 25.0 109.096 174.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . 59.27 14.32 3.58 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.88 1.437 . . . . 25.0 114.88 -178.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -98.87 32.76 2.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.684 0.755 . . . . 25.0 109.75 178.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 25.5 p -139.83 37.33 1.98 Allowed 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.355 -0.841 . . . . 25.0 111.819 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -62.73 155.83 25.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 122.103 0.954 . . . . 25.0 111.737 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 30.8 p -63.64 -18.72 64.23 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.757 -0.656 . . . . 25.0 111.799 -177.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -69.0 -26.42 65.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.185 -0.322 . . . . 25.0 110.666 177.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -62.12 -31.23 71.68 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 118.294 0.497 . . . . 25.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -59.74 -47.43 85.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.482 0.658 . . . . 25.0 111.657 -178.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 14.8 p -79.47 -31.62 14.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 108.409 -0.96 . . . . 25.0 108.409 -176.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -38.17 90.09 Favored 'General case' 0 C--N 1.318 -0.8 0 O-C-N 121.61 -0.681 . . . . 25.0 110.776 178.248 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -61.31 -36.87 81.3 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.202 -0.453 . . . . 25.0 110.847 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 60.1 p -64.04 -42.3 97.1 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.178 -0.609 . . . . 25.0 111.476 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -68.82 -37.44 79.2 Favored 'General case' 0 C--O 1.202 -1.412 0 C-N-CA 119.653 -0.819 . . . . 25.0 108.899 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -57.58 -25.82 60.55 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 112.566 0.58 . . . . 25.0 112.566 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 74.1 mt -73.66 -46.67 47.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.8 -26.11 24.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 122.19 0.995 . . . . 25.0 112.076 -174.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.466 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -83.64 -13.51 54.08 Favored 'General case' 0 C--O 1.207 -1.182 0 O-C-N 121.796 -0.565 . . . . 25.0 112.235 -178.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -58.31 -17.89 33.6 Favored Glycine 0 CA--C 1.523 0.579 0 O-C-N 123.621 0.576 . . . . 25.0 114.044 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -71.57 -18.44 62.24 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 117.024 0.412 . . . . 25.0 110.318 176.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -137.21 -157.0 0.74 Allowed 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 108.698 -0.853 . . . . 25.0 108.698 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -119.63 12.05 12.17 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.704 -0.623 . . . . 25.0 110.289 174.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -156.28 176.85 12.14 Favored 'General case' 0 C--O 1.245 0.864 0 N-CA-C 109.353 -0.61 . . . . 25.0 109.353 -176.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 843' ' ' ILE . . . . . 0.466 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.6 OUTLIER -129.43 147.08 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.776 0 N-CA-C 109.166 -0.679 . . . . 25.0 109.166 -177.458 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 65.4 p -100.13 159.91 14.74 Favored 'General case' 0 C--N 1.31 -1.141 0 O-C-N 120.973 -1.079 . . . . 25.0 109.682 172.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 73.6 mtm -60.18 -35.22 74.87 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-N 114.979 -1.01 . . . . 25.0 108.892 177.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -66.74 -43.04 85.24 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-O 121.831 0.824 . . . . 25.0 110.999 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -66.89 -47.34 72.13 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 112.689 0.626 . . . . 25.0 112.689 -178.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.7 pp -68.44 -25.0 64.8 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 120.344 -0.542 . . . . 25.0 111.193 -178.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -68.23 -14.23 62.83 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 122.004 -0.435 . . . . 25.0 111.413 177.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -78.9 -29.19 44.17 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.399 -0.593 . . . . 25.0 109.399 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -80.28 -42.53 22.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.125 0.964 . . . . 25.0 110.211 -175.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.85 81.43 70.32 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.263 -0.881 . . . . 25.0 109.04 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -63.43 -23.29 71.36 Favored 'Trans proline' 0 CA--C 1.549 1.249 0 N-CA-C 119.317 2.776 . . . . 25.0 119.317 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -78.43 -167.79 0.54 Allowed 'Trans proline' 0 C--N 1.367 1.504 0 C-N-CA 113.582 -3.812 . . . . 25.0 111.52 175.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -53.46 -12.78 0.49 Allowed 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.903 1.446 . . . . 25.0 114.903 -178.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -52.81 -38.78 61.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 118.239 0.472 . . . . 25.0 110.13 174.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -66.1 -41.72 90.24 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 121.484 -0.086 . . . . 25.0 111.055 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -64.89 -41.91 95.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.721 0.772 . . . . 25.0 110.023 -177.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -66.45 -30.4 70.75 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.62 -0.718 . . . . 25.0 109.324 177.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 37.2 m -72.06 -43.65 64.57 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 110.386 -0.228 . . . . 25.0 110.386 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 21.8 mt -62.89 -35.58 71.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 108.77 -0.826 . . . . 25.0 108.77 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -67.48 -8.03 30.3 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.516 0.932 . . . . 25.0 113.516 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -121.31 -32.84 3.79 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.379 0.881 . . . . 25.0 113.379 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 2.9 ttm -61.75 140.45 58.22 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-O 120.912 0.387 . . . . 25.0 111.836 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -67.92 142.31 95.34 Favored Pre-proline 0 C--N 1.318 -0.795 0 CA-C-N 115.888 -0.596 . . . . 25.0 110.042 -174.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -73.58 145.25 37.11 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 CA-C-O 121.903 0.71 . . . . 25.0 111.972 177.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -102.84 124.55 48.58 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.186 -0.915 . . . . 25.0 113.283 -178.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 12.4 m -130.52 73.33 1.53 Allowed 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 107.006 -1.479 . . . . 25.0 107.006 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -127.53 -170.53 12.86 Favored Glycine 0 C--O 1.223 -0.549 0 CA-C-N 115.402 -0.817 . . . . 25.0 113.482 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -68.99 -28.79 28.56 Favored 'Trans proline' 0 C--N 1.349 0.555 0 N-CA-C 116.256 1.598 . . . . 25.0 116.256 -176.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -97.71 19.89 12.87 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.028 0.442 . . . . 25.0 109.819 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 59.9 p -70.2 150.65 46.24 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 115.941 1.83 . . . . 25.0 115.941 -171.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 7.8 m -135.59 164.5 43.08 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 103.921 -2.622 . . . . 25.0 103.921 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.5 3.03 2.88 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 N-CA-C 115.789 1.419 . . . . 25.0 115.789 -178.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -128.74 35.92 2.54 Favored Glycine 0 CA--C 1.502 -0.732 0 N-CA-C 110.319 -1.112 . . . . 25.0 110.319 176.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -95.54 138.66 32.9 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.317 0.579 . . . . 25.0 112.268 -177.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 51.3 mt -134.64 141.38 46.57 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 107.538 -1.282 . . . . 25.0 107.538 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -92.27 102.1 14.6 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.114 -1.069 . . . . 25.0 108.114 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -73.1 -36.64 66.82 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-N 115.269 -0.878 . . . . 25.0 108.851 -177.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 33.2 ttp -64.86 -22.78 67.06 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.683 0.754 . . . . 25.0 110.673 -177.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 6.3 t -88.25 -27.3 21.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.171 -0.922 . . . . 25.0 112.424 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -54.03 -37.95 64.64 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.83 0.678 . . . . 25.0 112.83 -177.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -25.52 31.35 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 114.545 1.313 . . . . 25.0 114.545 178.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 12.9 t -114.69 -3.88 12.81 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.168 0.803 . . . . 25.0 113.168 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -154.01 134.7 13.64 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.378 0.51 . . . . 25.0 112.378 -177.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -144.59 151.94 39.78 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 106.71 -1.589 . . . . 25.0 106.71 176.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -122.26 -3.0 8.99 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 113.872 1.064 . . . . 25.0 113.872 -178.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -85.26 12.05 59.34 Favored Glycine 0 C--O 1.224 -0.49 0 C-N-CA 121.221 -0.514 . . . . 25.0 113.736 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.9 143.16 34.49 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 102.595 -3.113 . . . . 25.0 102.595 179.177 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 32.1 p -155.61 163.11 40.37 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.863 -0.421 . . . . 25.0 109.863 -178.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -87.69 0.22 56.0 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.195 -0.457 . . . . 25.0 111.041 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 2.2 mt . . . . . 0 C--O 1.247 0.963 0 C-N-CA 123.355 0.662 . . . . 25.0 109.967 -176.725 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.849 0 N-CA-C 111.731 -0.548 . . . . 25.0 111.731 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 51.1 p -60.2 135.17 57.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.375 0.607 . . . . 25.0 111.266 -178.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 28.5 p -124.21 36.63 4.58 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.607 -0.724 . . . . 25.0 109.303 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.38 125.53 7.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 N-CA-C 114.292 1.219 . . . . 25.0 114.292 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 47.2 m -88.35 169.44 11.82 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 113.713 -1.585 . . . . 25.0 107.855 174.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -62.56 -34.29 76.65 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 121.044 -1.035 . . . . 25.0 110.099 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -74.0 -23.7 59.48 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 116.345 -0.388 . . . . 25.0 110.046 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.53 -55.44 6.32 Favored 'General case' 0 CA--C 1.494 -1.207 0 O-C-N 121.724 -0.61 . . . . 25.0 109.99 178.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 23.6 ptp -58.98 -25.54 63.67 Favored 'General case' 0 C--O 1.214 -0.815 0 C-N-CA 119.615 -0.834 . . . . 25.0 110.063 178.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.03 -55.83 25.22 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -71.75 -31.13 66.33 Favored 'General case' 0 C--O 1.217 -0.631 0 C-N-CA 120.878 -0.329 . . . . 25.0 110.55 -177.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.24 -45.57 93.99 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.298 0.571 . . . . 25.0 109.734 175.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 7.6 mtp-105 -71.65 -39.93 70.02 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 116.398 -0.364 . . . . 25.0 110.212 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.67 -38.17 76.98 Favored 'General case' 0 C--O 1.209 -1.072 0 N-CA-C 112.702 0.63 . . . . 25.0 112.702 -177.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 50.9 p -70.37 -41.59 72.89 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.474 0.579 . . . . 25.0 109.594 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -43.63 92.46 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 107.908 -1.145 . . . . 25.0 107.908 175.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.77 -30.37 68.95 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.605 0.965 . . . . 25.0 113.605 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -71.34 -33.91 70.03 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 122.163 -0.335 . . . . 25.0 110.584 -178.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -89.0 -36.47 15.81 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 108.172 -1.047 . . . . 25.0 108.172 178.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -91.47 68.87 5.81 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-O 122.404 1.097 . . . . 25.0 109.269 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -79.35 -3.79 47.9 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.775 -1.102 . . . . 25.0 110.067 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -91.69 -11.0 38.18 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.358 -0.979 . . . . 25.0 108.358 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 42.4 m80 52.25 39.64 27.44 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.783 1.233 . . . . 25.0 112.968 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 2.5 m -71.48 -18.98 62.27 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.728 -0.841 . . . . 25.0 108.728 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 83.27 5.0 89.31 Favored Glycine 0 CA--C 1.508 -0.358 0 N-CA-C 109.224 -1.55 . . . . 25.0 109.224 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -151.17 158.43 43.96 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.775 -1.195 . . . . 25.0 107.775 -176.568 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 766' ' ' LEU . . . . . 0.478 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 13.9 mt -140.47 171.49 14.06 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.37 -0.974 . . . . 25.0 108.37 177.172 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.02 173.76 55.34 Favored Glycine 0 N--CA 1.453 -0.2 0 N-CA-C 111.301 -0.72 . . . . 25.0 111.301 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -66.3 -31.53 43.51 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 121.044 1.163 . . . . 25.0 113.308 -177.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -84.15 -34.39 24.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.155 -0.341 . . . . 25.0 110.389 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -63.73 -54.64 32.17 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.734 0.302 . . . . 25.0 110.352 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 771' ' ' PHE . . . . . 0.478 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -61.68 -29.5 70.12 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 113.182 0.808 . . . . 25.0 113.182 175.264 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -66.04 -45.33 81.81 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.785 -0.572 . . . . 25.0 109.834 177.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.53 -24.89 62.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.288 0.566 . . . . 25.0 110.177 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 45.6 t -62.44 -37.44 85.87 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 14.5 mt -65.58 -31.36 72.35 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 115.727 -0.67 . . . . 25.0 112.15 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 776' ' ' ILE . . . . . 0.452 HD11 ' HA2' ' A' ' 783' ' ' GLY . 67.8 mt -59.05 -34.39 53.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 O-C-N 121.527 -0.733 . . . . 25.0 109.407 -177.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 1.5 m -61.52 -20.0 62.73 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.569 0.581 . . . . 25.0 112.569 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 16.6 mt -95.92 -16.72 21.57 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 115.889 -0.596 . . . . 25.0 111.306 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 115.45 36.99 1.13 Allowed Glycine 0 C--O 1.221 -0.717 0 CA-C-N 115.843 -0.617 . . . . 25.0 114.305 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -105.59 131.1 53.39 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.431 -0.581 . . . . 25.0 109.431 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -83.91 46.37 1.18 Allowed 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.445 0.641 . . . . 25.0 110.445 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 47.1 mt -119.14 76.43 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 106.954 -1.499 . . . . 25.0 106.954 -175.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 783' ' ' GLY . . . . . 0.452 ' HA2' HD11 ' A' ' 776' ' ' ILE . . . -123.06 51.83 0.79 Allowed Glycine 0 N--CA 1.465 0.577 0 CA-C-N 115.607 -0.724 . . . . 25.0 113.547 -175.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 66.25 13.47 9.19 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.472 1.109 . . . . 25.0 111.208 -176.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -68.18 153.16 95.86 Favored Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 105.427 -2.064 . . . . 25.0 105.427 175.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.47 -19.84 42.46 Favored 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 114.689 -3.074 . . . . 25.0 113.584 -177.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -81.76 -37.56 27.02 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.154 -1.054 . . . . 25.0 108.154 178.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -66.79 -42.25 93.16 Favored Glycine 0 C--O 1.21 -1.355 0 N-CA-C 110.285 -1.126 . . . . 25.0 110.285 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.56 -36.47 78.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 121.685 -0.891 . . . . 25.0 111.325 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -62.39 -39.33 92.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.702 -0.227 . . . . 25.0 111.119 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -86.64 -22.35 26.21 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-O 121.572 0.701 . . . . 25.0 110.594 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.8 -34.21 66.76 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 108.934 -0.765 . . . . 25.0 108.934 177.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -58.83 -33.05 69.97 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.318 0.58 . . . . 25.0 112.292 178.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -83.48 -29.03 28.32 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 119.836 -0.746 . . . . 25.0 109.34 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 44.1 mt -69.08 -46.41 78.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 C-N-CA 122.244 0.218 . . . . 25.0 110.745 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 8.8 ptt? -62.35 -23.52 66.83 Favored 'General case' 0 C--O 1.216 -0.694 0 C-N-CA 120.615 -0.434 . . . . 25.0 112.044 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 52.5 m -75.85 -18.1 59.57 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 111.668 0.247 . . . . 25.0 111.668 178.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 82.0 mt -94.4 -48.71 12.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.619 0.723 . . . . 25.0 110.616 -177.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.449 ' HB ' HG13 ' A' ' 807' ' ' VAL . 22.7 m -74.83 -14.44 15.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 N-CA-C 113.107 0.78 . . . . 25.0 113.107 -176.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -153.18 68.42 6.58 Favored Pre-proline 0 CA--C 1.543 0.677 0 CA-C-N 115.17 -0.923 . . . . 25.0 110.638 -175.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -71.15 -14.02 31.48 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 117.914 -0.924 . . . . 25.0 111.867 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.92 -9.31 58.22 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 116.207 -0.451 . . . . 25.0 110.472 -178.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 25.7 mmt85 56.91 48.24 16.26 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.373 1.045 . . . . 25.0 110.718 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 87.3 mt -71.52 -25.72 62.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 113.81 -1.541 . . . . 25.0 109.036 175.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 86.9 19.98 54.7 Favored Glycine 0 C--N 1.32 -0.324 0 N-CA-C 110.39 -1.084 . . . . 25.0 110.39 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 7.0 m -145.93 153.77 13.33 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.429 0 CA-C-O 121.383 0.611 . . . . 25.0 109.357 -177.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 807' ' ' VAL . . . . . 0.449 HG13 ' HB ' ' A' ' 799' ' ' VAL . 17.6 t -131.48 132.32 62.61 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 CA-C-N 115.575 -0.738 . . . . 25.0 110.452 -177.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.21 158.64 15.35 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -49.57 -44.53 46.87 Favored 'General case' 0 C--O 1.213 -0.861 0 C-N-CA 122.837 0.455 . . . . 25.0 110.71 178.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -24.12 62.27 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.195 -0.602 . . . . 25.0 110.489 -174.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -75.98 -40.15 54.39 Favored 'General case' 0 C--O 1.217 -0.634 0 C-N-CA 120.258 -0.577 . . . . 25.0 111.481 -177.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.402 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.0 OUTLIER -69.83 -28.05 65.37 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 118.646 -1.222 . . . . 25.0 110.445 177.708 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 14.7 mm -65.33 -27.88 43.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.215 0.531 . . . . 25.0 109.788 176.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -61.2 -47.84 84.29 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 121.786 -0.571 . . . . 25.0 110.307 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 815' ' ' PHE . . . . . 0.402 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.8 p90 -78.29 -20.6 51.21 Favored 'General case' 0 C--O 1.207 -1.147 0 C-N-CA 119.566 -0.854 . . . . 25.0 111.233 -179.119 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -59.13 -34.82 72.51 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.026 0.83 . . . . 25.0 109.565 -176.04 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 9.1 t -72.98 -23.88 60.7 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 121.001 0.429 . . . . 25.0 111.458 177.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -84.91 -28.97 25.56 Favored 'General case' 0 C--O 1.219 -0.544 0 C-N-CA 123.009 0.524 . . . . 25.0 111.348 -178.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -78.9 -32.95 45.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 118.142 0.428 . . . . 25.0 110.921 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 15.2 t -81.17 -2.33 48.13 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 106.968 -1.493 . . . . 25.0 106.968 172.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . 64.03 142.0 0.02 OUTLIER 'General case' 0 C--O 1.237 0.443 0 N-CA-C 116.702 2.112 . . . . 25.0 116.702 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -152.09 149.57 28.97 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.653 -1.158 . . . . 25.0 108.234 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 12.5 t -163.43 157.52 19.96 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.444 -0.576 . . . . 25.0 109.444 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -68.58 150.13 48.38 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 107.955 -1.128 . . . . 25.0 107.955 176.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.93 150.14 46.8 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.327 -1.36 . . . . 25.0 107.327 178.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -63.18 -26.66 68.91 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 110.04 -0.355 . . . . 25.0 110.04 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -58.73 -29.69 66.91 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.67 0.619 . . . . 25.0 112.67 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -64.75 -49.29 71.37 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.349 0.595 . . . . 25.0 110.235 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 14.0 p -76.73 -31.47 19.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 107.704 -1.221 . . . . 25.0 107.704 -177.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -36.81 84.93 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 121.728 -0.608 . . . . 25.0 110.511 178.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.51 -38.31 80.61 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.968 -0.382 . . . . 25.0 109.968 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 55.8 p -68.31 -38.47 81.61 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.493 0.553 . . . . 25.0 112.493 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -68.43 -34.06 75.33 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 109.362 -0.607 . . . . 25.0 109.362 -178.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -65.45 -20.09 66.21 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.684 -0.689 . . . . 25.0 112.761 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 83.8 mt -77.78 -42.44 28.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 107.963 -1.125 . . . . 25.0 107.963 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.68 -29.33 25.72 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.257 0.551 . . . . 25.0 112.155 -175.131 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.614 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -106.42 15.7 25.66 Favored 'General case' 0 C--O 1.206 -1.217 0 N-CA-C 112.213 0.449 . . . . 25.0 112.213 -177.238 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -61.25 -21.94 60.26 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 109.877 -1.289 . . . . 25.0 109.877 172.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -74.97 -17.21 60.58 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.087 0.402 . . . . 25.0 112.087 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -130.3 -176.64 4.02 Favored 'General case' 0 C--O 1.213 -0.833 0 CA-C-N 118.58 0.627 . . . . 25.0 110.096 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -108.04 13.07 26.37 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.125 -0.694 . . . . 25.0 109.125 174.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 842' ' ' TYR . . . . . 0.401 ' HB3' ' CE1' ' A' ' 867' ' ' TYR . 6.5 p90 -157.67 176.51 12.52 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.32 -0.622 . . . . 25.0 109.32 -176.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 843' ' ' ILE . . . . . 0.614 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.7 OUTLIER -135.92 151.15 28.87 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 N-CA-C 108.431 -0.952 . . . . 25.0 108.431 -177.888 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 71.1 p -100.7 158.46 15.93 Favored 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 119.482 -0.887 . . . . 25.0 109.364 174.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 69.9 mtm -59.91 -30.09 68.8 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 114.498 -1.228 . . . . 25.0 109.562 176.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -71.53 -43.82 65.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.5 0.667 . . . . 25.0 110.797 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -65.07 -46.75 79.87 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 116.133 -0.485 . . . . 25.0 111.35 -177.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.3 pp -67.31 -24.73 65.78 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.729 -0.607 . . . . 25.0 111.272 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -74.31 -12.32 60.51 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.738 -0.601 . . . . 25.0 111.328 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 17.3 ptt180 -77.43 -26.14 51.31 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 108.456 -0.942 . . . . 25.0 108.456 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -82.95 -42.42 17.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.962 0.886 . . . . 25.0 110.31 -176.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.13 78.66 75.78 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-N 115.213 -0.903 . . . . 25.0 109.867 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -54.33 -33.84 77.93 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 N-CA-C 118.974 2.644 . . . . 25.0 118.974 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -77.17 -164.81 0.29 Allowed 'Trans proline' 0 C--N 1.365 1.41 0 C-N-CA 115.096 -2.803 . . . . 25.0 112.838 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -53.38 -15.82 1.16 Allowed 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 114.359 1.244 . . . . 25.0 114.359 -177.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -53.03 -38.7 62.62 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 122.08 -0.388 . . . . 25.0 110.716 174.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.4 -41.12 96.83 Favored 'General case' 0 C--O 1.218 -0.555 0 O-C-N 122.112 -0.367 . . . . 25.0 110.267 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -68.2 -38.76 82.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.246 0.546 . . . . 25.0 109.985 -176.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -65.96 -32.02 73.26 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.295 -0.631 . . . . 25.0 109.295 176.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 54.4 m -72.07 -41.16 67.7 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 110.077 -0.342 . . . . 25.0 110.077 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 19.1 mt -64.24 -37.69 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 N-CA-C 108.807 -0.812 . . . . 25.0 108.807 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -71.15 1.12 6.33 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 112.469 0.544 . . . . 25.0 112.469 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -121.3 -35.33 3.3 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 112.51 0.559 . . . . 25.0 112.51 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 15.3 ttm -69.02 150.67 47.39 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 113.753 1.02 . . . . 25.0 113.753 -175.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -78.15 143.74 65.93 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.446 -0.797 . . . . 25.0 109.118 -175.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -76.23 152.78 35.5 Favored 'Trans proline' 0 C--O 1.233 0.266 0 CA-C-O 121.834 0.681 . . . . 25.0 112.702 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 867' ' ' TYR . . . . . 0.401 ' CE1' ' HB3' ' A' ' 842' ' ' TYR . 68.4 t80 -116.94 126.44 52.94 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.523 -0.762 . . . . 25.0 112.403 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 62.4 p -129.69 39.68 3.68 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.516 0.674 . . . . 25.0 110.182 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -85.21 -168.13 44.26 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 114.6 0.6 . . . . 25.0 114.6 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -69.82 -26.13 27.61 Favored 'Trans proline' 0 C--N 1.348 0.544 0 CA-C-N 118.866 1.333 . . . . 25.0 114.911 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -99.05 19.54 14.99 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.175 -0.676 . . . . 25.0 109.175 -178.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 83.0 p -75.16 153.85 37.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 122.852 1.31 . . . . 25.0 114.441 -171.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 3.3 m -138.7 164.21 41.37 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 103.07 -2.937 . . . . 25.0 103.07 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -66.96 -10.43 28.46 Favored 'Trans proline' 0 N--CA 1.475 0.421 0 C-N-CA 117.259 -1.361 . . . . 25.0 114.977 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -110.91 29.3 9.0 Favored Glycine 0 C--O 1.227 -0.33 0 N-CA-C 110.782 -0.927 . . . . 25.0 110.782 177.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -93.12 139.56 30.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.294 0.569 . . . . 25.0 111.49 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 66.7 mt -136.09 140.44 43.74 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 106.539 -1.652 . . . . 25.0 106.539 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -90.29 103.72 16.37 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 107.511 -1.292 . . . . 25.0 107.511 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -74.49 -36.36 63.25 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-N 115.29 -0.868 . . . . 25.0 109.169 -177.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 3.2 mtp -62.49 -26.58 68.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.469 0.652 . . . . 25.0 109.615 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.5 t -87.36 -19.09 28.64 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.953 -1.022 . . . . 25.0 113.422 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -57.88 -40.71 80.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.348 0.594 . . . . 25.0 111.93 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 41.2 t -56.99 -27.22 61.33 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.276 -0.42 . . . . 25.0 112.064 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 49.2 p -105.82 -11.34 16.28 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.548 0.944 . . . . 25.0 113.548 -176.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -153.32 118.88 5.26 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 122.571 0.349 . . . . 25.0 111.405 -176.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -144.48 146.22 32.31 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 106.761 -1.57 . . . . 25.0 106.761 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -131.8 -0.81 3.83 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 115.281 1.585 . . . . 25.0 115.281 -175.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -92.78 5.52 76.54 Favored Glycine 0 CA--C 1.511 -0.217 0 C-N-CA 120.272 -0.966 . . . . 25.0 114.529 -177.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -78.68 151.17 32.35 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.958 -0.756 . . . . 25.0 108.958 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 40.1 t -150.95 152.14 33.14 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 106.6 -1.63 . . . . 25.0 106.6 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -88.79 5.08 45.26 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 109.156 -0.683 . . . . 25.0 109.156 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 53.2 tp . . . . . 0 C--O 1.246 0.876 0 C-N-CA 123.162 0.585 . . . . 25.0 109.616 -177.776 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.736 0 CA-C-O 118.321 -1.266 . . . . 25.0 111.47 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 80.1 p -63.96 -25.48 68.16 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 116.653 2.094 . . . . 25.0 116.653 -175.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 8.8 t 54.41 37.86 28.47 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 121.61 0.719 . . . . 25.0 111.833 -178.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -58.47 135.34 22.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 CA-C-N 115.325 -0.852 . . . . 25.0 111.235 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 5.7 m -82.87 166.96 18.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.164 -0.926 . . . . 25.0 108.64 176.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -65.04 -34.32 78.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 120.492 -1.38 . . . . 25.0 109.819 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -73.85 -21.6 60.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.379 -0.373 . . . . 25.0 111.12 178.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.8 -56.66 4.7 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 121.521 0.676 . . . . 25.0 110.043 178.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 23.0 ptp -57.75 -25.32 60.27 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 119.989 -0.684 . . . . 25.0 110.524 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.3 -51.63 62.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.252 -0.431 . . . . 25.0 111.042 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -73.21 -32.16 64.6 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.441 -0.577 . . . . 25.0 109.441 -177.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -60.77 -44.05 97.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.963 0.411 . . . . 25.0 110.256 174.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -69.46 -42.31 75.06 Favored 'General case' 0 CA--C 1.511 -0.526 0 O-C-N 121.874 -0.516 . . . . 25.0 109.945 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.43 -38.7 90.67 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-O 119.136 -0.459 . . . . 25.0 111.916 -177.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 40.9 m -66.78 -44.75 80.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 118.332 0.514 . . . . 25.0 110.661 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -42.41 98.62 Favored 'General case' 0 C--O 1.209 -1.07 0 N-CA-C 108.759 -0.83 . . . . 25.0 108.759 177.18 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.52 -32.11 71.83 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.029 0.751 . . . . 25.0 113.029 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -67.76 -37.08 81.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.103 -0.373 . . . . 25.0 110.181 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -86.66 -37.96 17.5 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 109.422 -0.584 . . . . 25.0 109.422 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 759' ' ' ASP . . . . . 0.419 ' HA ' HD21 ' A' ' 766' ' ' LEU . 51.6 t0 -89.46 68.5 7.85 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-O 122.447 1.118 . . . . 25.0 109.069 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -74.36 -7.87 54.32 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.376 -1.284 . . . . 25.0 110.212 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -89.45 -11.48 42.93 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.759 -0.83 . . . . 25.0 108.759 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 52.93 37.88 25.58 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.863 1.265 . . . . 25.0 113.602 -178.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 26.4 m -71.16 -21.58 62.16 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.101 0.477 . . . . 25.0 110.046 177.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 91.95 -0.21 72.52 Favored Glycine 0 C--O 1.241 0.549 0 N-CA-C 109.726 -1.35 . . . . 25.0 109.726 -178.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 11.6 p -148.9 156.04 41.74 Favored 'General case' 0 CA--C 1.508 -0.647 0 C-N-CA 123.789 0.835 . . . . 25.0 110.013 -175.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 766' ' ' LEU . . . . . 0.466 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 21.0 mt -136.93 175.27 9.77 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 108.386 -0.968 . . . . 25.0 108.386 177.521 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -81.33 174.33 54.43 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 110.325 -1.11 . . . . 25.0 110.325 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -66.78 -35.84 26.23 Favored 'Trans proline' 0 C--N 1.343 0.269 0 CA-C-N 118.384 1.092 . . . . 25.0 113.261 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -77.5 -35.11 53.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.936 0.398 . . . . 25.0 111.146 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 82.1 mm-40 -63.6 -55.62 22.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.978 0.418 . . . . 25.0 110.552 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 771' ' ' PHE . . . . . 0.466 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.4 OUTLIER -60.16 -28.4 67.89 Favored 'General case' 0 C--O 1.198 -1.619 0 N-CA-C 113.559 0.948 . . . . 25.0 113.559 175.041 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 8.8 ttpt -63.53 -48.79 76.08 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.74 0.781 . . . . 25.0 108.94 176.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.78 -24.3 61.72 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.385 0.612 . . . . 25.0 110.866 -178.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 41.9 t -63.31 -32.42 73.83 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.705 -0.48 . . . . 25.0 109.705 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 16.7 mt -69.2 -34.09 74.35 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 121.37 0.605 . . . . 25.0 109.903 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 56.3 mt -59.38 -32.87 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-N 116.191 -0.459 . . . . 25.0 110.078 -178.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 20.0 t -62.46 -20.08 64.18 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.276 0.473 . . . . 25.0 112.276 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 20.5 mt -95.55 -20.97 18.57 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.431 -0.349 . . . . 25.0 110.476 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 118.54 35.91 0.96 Allowed Glycine 0 CA--C 1.52 0.394 0 CA-C-N 115.842 -0.617 . . . . 25.0 114.281 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -101.96 133.03 47.4 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.322 -0.992 . . . . 25.0 108.322 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -84.07 44.13 0.99 Allowed 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 121.534 0.683 . . . . 25.0 109.595 175.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 64.8 mt -116.79 95.77 4.01 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.505 0 N-CA-C 108.418 -0.956 . . . . 25.0 108.418 -176.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -140.96 -125.76 2.16 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 109.815 -1.314 . . . . 25.0 109.815 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -89.2 13.73 12.58 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 122.565 1.174 . . . . 25.0 108.42 177.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.38 146.59 86.68 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 114.572 -1.195 . . . . 25.0 107.844 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.54 -19.95 24.15 Favored 'Trans proline' 0 C--O 1.222 -0.297 0 C-N-CA 115.891 -2.273 . . . . 25.0 112.876 -175.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -83.63 -35.59 24.49 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 107.757 -1.201 . . . . 25.0 107.757 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -62.51 -51.4 56.5 Favored Glycine 0 C--O 1.211 -1.337 0 N-CA-C 109.172 -1.571 . . . . 25.0 109.172 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.93 -34.31 71.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 118.301 1.05 . . . . 25.0 112.949 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -64.58 -33.48 76.01 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.699 0.285 . . . . 25.0 111.537 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -93.21 -25.19 17.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.447 0.641 . . . . 25.0 111.306 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -68.14 -35.19 77.69 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 108.387 -0.968 . . . . 25.0 108.387 177.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -58.75 -33.91 70.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.934 -0.575 . . . . 25.0 111.367 179.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 25.0 ptt-85 -86.48 -27.99 23.73 Favored 'General case' 0 C--O 1.219 -0.5 0 C-N-CA 119.736 -0.786 . . . . 25.0 110.331 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 38.2 mt -65.69 -47.42 86.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 122.221 0.208 . . . . 25.0 110.699 178.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 18.8 ptt? -60.84 -27.2 67.91 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-O 120.93 0.395 . . . . 25.0 111.463 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 66.2 m -72.99 -20.36 61.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 122.145 -0.347 . . . . 25.0 111.733 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 84.4 mt -92.0 -47.27 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.504 0 CA-C-O 121.453 0.644 . . . . 25.0 110.24 -177.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.432 ' HB ' HG13 ' A' ' 807' ' ' VAL . 31.9 m -76.18 -14.03 14.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.703 -0.68 . . . . 25.0 112.045 -176.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -151.99 69.74 7.7 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-O 121.902 0.858 . . . . 25.0 110.599 -176.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -72.74 -8.58 22.65 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 118.188 -0.742 . . . . 25.0 112.528 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -92.42 -6.34 50.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.141 -0.482 . . . . 25.0 110.737 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? 55.08 49.25 17.9 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-O 122.284 1.04 . . . . 25.0 111.675 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 83.9 mt -73.64 -24.8 60.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 113.923 -1.49 . . . . 25.0 108.65 175.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 87.81 19.36 54.14 Favored Glycine 0 N--CA 1.454 -0.144 0 CA-C-N 115.442 -0.799 . . . . 25.0 111.787 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 13.6 m -145.05 154.97 13.94 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.4 0 N-CA-C 109.619 -0.511 . . . . 25.0 109.619 -176.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 807' ' ' VAL . . . . . 0.432 HG13 ' HB ' ' A' ' 799' ' ' VAL . 14.5 t -131.06 132.17 63.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.711 -0.677 . . . . 25.0 109.524 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.29 161.44 13.8 Favored 'General case' 0 CA--C 1.506 -0.719 0 N-CA-C 109.45 -0.574 . . . . 25.0 109.45 179.029 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -52.27 -42.74 63.94 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-O 121.608 0.718 . . . . 25.0 110.414 178.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -22.99 59.11 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 121.624 -0.672 . . . . 25.0 109.512 -174.204 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -74.97 -41.68 59.1 Favored 'General case' 0 C--O 1.216 -0.709 0 C-N-CA 120.049 -0.66 . . . . 25.0 111.048 -177.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 812' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.45 -30.16 68.97 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 119.013 -1.075 . . . . 25.0 110.704 178.036 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 20.1 mm -62.01 -26.89 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.207 0.527 . . . . 25.0 109.654 176.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.6 -49.38 77.74 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 122.04 -0.412 . . . . 25.0 110.171 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -79.95 -22.59 42.46 Favored 'General case' 0 CA--C 1.504 -0.789 0 C-N-CA 119.485 -0.886 . . . . 25.0 111.861 -178.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -30.83 71.86 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 106.804 -1.554 . . . . 25.0 106.804 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 24.4 t -73.84 -31.44 63.2 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 121.468 -0.77 . . . . 25.0 110.926 174.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -74.88 -20.14 59.85 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 113.579 0.955 . . . . 25.0 113.579 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -93.28 -19.62 21.21 Favored 'General case' 0 CA--C 1.496 -1.112 0 C-N-CA 120.489 -0.484 . . . . 25.0 110.729 174.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 41.6 m -62.0 -45.01 95.51 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 100.854 -3.758 . . . . 25.0 100.854 164.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . 168.39 145.68 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 126.74 2.016 . . . . 25.0 113.984 160.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -100.09 34.07 2.43 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.639 1.176 . . . . 25.0 110.504 -174.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 9.6 t -155.17 163.12 40.65 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 106.414 -1.699 . . . . 25.0 106.414 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -81.25 153.37 27.17 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.247 -0.649 . . . . 25.0 109.247 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -116.32 114.65 24.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.596 0.713 . . . . 25.0 111.681 -176.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -64.88 -18.97 65.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.656 -0.702 . . . . 25.0 111.645 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -61.99 -30.18 70.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.153 0.501 . . . . 25.0 111.381 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -60.78 -47.69 85.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.502 0.668 . . . . 25.0 110.11 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 10.0 p -78.98 -29.35 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.635 -0.506 . . . . 25.0 109.635 -178.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.57 -40.25 90.98 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 121.763 -0.586 . . . . 25.0 110.117 176.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.32 91.83 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.034 -0.53 . . . . 25.0 110.069 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 61.4 p -65.04 -40.09 94.29 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 120.722 -0.391 . . . . 25.0 111.32 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -64.75 -46.7 81.09 Favored 'General case' 0 C--O 1.207 -1.17 0 C-N-CA 120.094 -0.643 . . . . 25.0 109.399 177.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -55.16 -30.09 59.15 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.53 0.937 . . . . 25.0 113.53 -175.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 78.1 mt -70.17 -43.98 78.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.91 -28.12 26.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.548 0.69 . . . . 25.0 111.622 -177.385 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.521 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -77.49 -13.34 59.94 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 113.385 0.883 . . . . 25.0 113.385 -175.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -57.41 -14.15 12.57 Favored Glycine 0 C--O 1.222 -0.598 0 O-C-N 123.686 0.616 . . . . 25.0 114.019 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -63.08 -31.81 73.04 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.348 0.659 . . . . 25.0 110.167 174.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -139.63 -155.96 0.64 Allowed 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 -176.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -115.43 13.49 16.52 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 121.961 -0.462 . . . . 25.0 110.429 174.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -156.01 179.22 9.42 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.203 -0.666 . . . . 25.0 109.203 -177.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 843' ' ' ILE . . . . . 0.521 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.2 OUTLIER -131.04 148.64 33.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.765 -0.828 . . . . 25.0 108.765 -177.681 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 34.1 p -99.04 158.12 15.88 Favored 'General case' 0 C--N 1.316 -0.862 0 O-C-N 121.653 -0.654 . . . . 25.0 109.831 173.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 70.5 mtm -59.67 -35.13 73.83 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.16 -0.927 . . . . 25.0 109.321 176.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -66.56 -42.26 87.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.362 0.601 . . . . 25.0 111.454 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -66.86 -49.14 66.62 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 116.18 -0.464 . . . . 25.0 111.696 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.12 -26.6 66.77 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 119.811 -0.756 . . . . 25.0 110.814 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 16.4 ttt180 -74.69 -12.85 60.53 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.869 -0.519 . . . . 25.0 111.788 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 850' ' ' ARG . . . . . 0.425 ' HG2' ' HG2' ' A' ' 851' ' ' GLU . 16.7 ptt180 -76.51 -28.85 56.55 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 107.962 -1.125 . . . . 25.0 107.962 178.365 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 851' ' ' GLU . . . . . 0.425 ' HG2' ' HG2' ' A' ' 850' ' ' ARG . 45.0 mm-40 -81.47 -41.33 21.94 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.256 -0.884 . . . . 25.0 110.63 -176.271 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.88 77.87 74.29 Favored Pre-proline 0 CA--C 1.539 0.531 0 CA-C-N 115.72 -0.673 . . . . 25.0 109.672 178.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -53.45 -34.14 70.35 Favored 'Trans proline' 0 CA--C 1.554 1.496 0 N-CA-C 118.672 2.528 . . . . 25.0 118.672 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.6 -166.89 0.38 Allowed 'Trans proline' 0 C--N 1.364 1.38 0 C-N-CA 115.247 -2.702 . . . . 25.0 112.946 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -52.2 -16.93 0.92 Allowed 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 115.14 1.533 . . . . 25.0 115.14 -177.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -51.97 -39.81 59.91 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 122.194 -0.316 . . . . 25.0 111.227 175.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.27 -41.29 96.99 Favored 'General case' 0 C--O 1.212 -0.883 0 C-N-CA 121.12 -0.232 . . . . 25.0 111.02 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -66.44 -41.37 89.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.442 0.639 . . . . 25.0 109.674 -177.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -65.67 -31.96 73.26 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.149 -0.685 . . . . 25.0 109.149 177.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 46.7 m -71.95 -42.15 66.94 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 110.008 -0.367 . . . . 25.0 110.008 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 20.7 mt -61.94 -42.03 93.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.528 -0.545 . . . . 25.0 109.528 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.5 -26.52 67.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.082 0.468 . . . . 25.0 111.474 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -93.03 -18.42 22.69 Favored 'General case' 0 C--O 1.211 -0.963 0 N-CA-C 112.572 0.582 . . . . 25.0 112.572 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 3.6 ttm -74.27 -178.52 3.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.242 0.544 . . . . 25.0 111.91 -176.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -113.48 144.61 31.65 Favored Pre-proline 0 N--CA 1.446 -0.64 0 N-CA-C 106.248 -1.76 . . . . 25.0 106.248 178.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -73.99 154.6 47.83 Favored 'Trans proline' 0 C--O 1.223 -0.253 0 CA-C-N 118.68 0.564 . . . . 25.0 112.114 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -113.09 132.32 55.47 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.125 0.787 . . . . 25.0 113.125 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 2.8 p -131.85 122.41 25.67 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 105.081 -2.192 . . . . 25.0 105.081 172.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -173.9 -173.23 39.88 Favored Glycine 0 CA--C 1.507 -0.42 0 C-N-CA 120.558 -0.83 . . . . 25.0 111.398 -176.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -69.86 -28.27 24.96 Favored 'Trans proline' 0 N--CA 1.473 0.267 0 CA-C-N 119.065 1.432 . . . . 25.0 114.744 -177.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -99.92 16.03 25.18 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.366 0.603 . . . . 25.0 109.895 -176.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 84.8 p -72.55 153.14 41.46 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 114.77 1.396 . . . . 25.0 114.77 -173.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 6.0 m -137.86 165.03 36.78 Favored Pre-proline 0 C--N 1.319 -0.748 0 N-CA-C 103.578 -2.749 . . . . 25.0 103.578 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.54 -9.38 26.04 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 115.883 -2.278 . . . . 25.0 114.351 -177.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -110.29 31.18 7.61 Favored Glycine 0 C--O 1.23 -0.151 0 CA-C-O 121.346 0.414 . . . . 25.0 112.234 177.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -92.98 137.37 32.43 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.603 0.594 . . . . 25.0 112.603 -176.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 61.1 mt -135.18 139.27 44.43 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.379 -0.971 . . . . 25.0 108.379 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -88.96 105.2 17.62 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 107.048 -1.464 . . . . 25.0 107.048 178.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -73.77 -33.34 64.21 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 114.872 -1.058 . . . . 25.0 108.742 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 4.1 ttm -68.34 -18.26 64.45 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.232 -0.895 . . . . 25.0 110.958 -177.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 4.7 t -94.61 -21.51 18.77 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.782 0.66 . . . . 25.0 112.782 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -58.14 -33.81 69.59 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.746 0.784 . . . . 25.0 110.974 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.66 -30.86 5.92 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 114.851 1.426 . . . . 25.0 114.851 177.336 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 8.8 t -109.5 -6.66 15.34 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.815 1.413 . . . . 25.0 114.815 -178.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -154.81 150.88 27.99 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.516 1.302 . . . . 25.0 114.516 -176.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -148.79 154.07 39.04 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 106.59 -1.633 . . . . 25.0 106.59 178.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -136.75 1.23 2.52 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.363 1.245 . . . . 25.0 114.363 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -55.08 -18.7 12.99 Favored Glycine 0 N--CA 1.461 0.361 0 N-CA-C 122.298 3.679 . . . . 25.0 122.298 -169.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -155.03 160.48 41.08 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 119.314 1.557 . . . . 25.0 109.726 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 66.2 m -147.07 162.01 39.67 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.503 -1.295 . . . . 25.0 107.503 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -75.93 -36.83 59.24 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.484 0.49 . . . . 25.0 111.508 -178.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 44.5 tp . . . . . 0 C--O 1.256 1.418 0 CA-C-O 115.902 -1.999 . . . . 25.0 107.026 -179.896 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.084 0 N-CA-C 111.276 -0.73 . . . . 25.0 111.276 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 7.1 m -61.59 136.26 57.95 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 113.83 1.048 . . . . 25.0 113.83 -176.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 29.2 t -129.96 88.07 2.61 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 104.656 -2.35 . . . . 25.0 104.656 175.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 1.6 mt -68.01 129.85 32.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 122.117 0.96 . . . . 25.0 110.776 -177.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 35.1 t -82.92 165.41 19.76 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.237 -1.394 . . . . 25.0 107.237 176.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -60.05 -34.67 73.72 Favored 'General case' 0 C--N 1.315 -0.918 0 O-C-N 121.325 -0.86 . . . . 25.0 109.966 175.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -75.42 -24.62 57.14 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.851 -0.613 . . . . 25.0 110.916 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -70.37 -56.76 5.89 Favored 'General case' 0 CA--C 1.504 -0.814 0 N-CA-C 109.28 -0.637 . . . . 25.0 109.28 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 18.9 ptp -58.13 -25.11 61.0 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 119.505 -0.878 . . . . 25.0 111.471 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -56.45 20.32 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 -179.294 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -71.26 -33.38 69.75 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.535 0.207 . . . . 25.0 110.569 -177.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -59.45 -51.64 69.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.29 0.567 . . . . 25.0 110.313 176.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -67.57 -40.63 84.89 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 122.038 -0.414 . . . . 25.0 110.534 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -67.03 -38.11 85.33 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 112.82 0.674 . . . . 25.0 112.82 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 16.9 t -68.82 -43.97 74.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 118.648 0.658 . . . . 25.0 110.105 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -40.98 85.9 Favored 'General case' 0 C--O 1.208 -1.106 0 N-CA-C 108.626 -0.879 . . . . 25.0 108.626 177.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.87 -32.63 71.1 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.447 0.642 . . . . 25.0 112.689 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -68.76 -32.42 72.16 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.503 -0.748 . . . . 25.0 111.19 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -89.87 -37.91 14.1 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 108.365 -0.976 . . . . 25.0 108.365 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 759' ' ' ASP . . . . . 0.403 ' HA ' HD21 ' A' ' 766' ' ' LEU . 55.0 t0 -88.28 69.91 9.14 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 122.185 0.993 . . . . 25.0 108.669 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 37.7 mtp85 -78.35 -6.87 56.39 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.687 -1.142 . . . . 25.0 110.47 -178.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -94.75 1.74 55.47 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 108.205 -1.035 . . . . 25.0 108.205 178.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 16.3 p80 39.99 41.19 0.85 Allowed 'General case' 0 C--O 1.239 0.51 0 C-N-CA 125.336 1.455 . . . . 25.0 114.207 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.26 -22.8 61.17 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.909 0.385 . . . . 25.0 110.17 179.619 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 92.44 1.1 69.22 Favored Glycine 0 C--O 1.243 0.669 0 N-CA-C 109.397 -1.481 . . . . 25.0 109.397 -178.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -149.94 157.37 43.1 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 123.729 0.811 . . . . 25.0 108.866 -174.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 766' ' ' LEU . . . . . 0.477 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 14.2 mt -139.66 171.04 14.81 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.614 -0.884 . . . . 25.0 108.614 177.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -78.49 173.7 55.2 Favored Glycine 0 N--CA 1.45 -0.388 0 N-CA-C 111.497 -0.641 . . . . 25.0 111.497 -178.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -67.08 -30.49 38.5 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 121.134 1.223 . . . . 25.0 113.275 -177.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -81.52 -38.0 26.94 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.009 0.433 . . . . 25.0 110.558 178.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -62.69 -55.27 28.4 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.991 -0.55 . . . . 25.0 110.433 -178.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 771' ' ' PHE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.2 OUTLIER -61.98 -27.59 68.96 Favored 'General case' 0 C--O 1.21 -0.988 0 N-CA-C 113.247 0.832 . . . . 25.0 113.247 175.839 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -67.07 -44.66 79.52 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 118.606 0.639 . . . . 25.0 109.603 177.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.63 -25.91 62.35 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.006 0.432 . . . . 25.0 110.623 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 40.8 t -61.46 -36.14 79.56 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.139 -0.689 . . . . 25.0 109.139 177.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 16.6 mt -65.81 -32.02 73.31 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 115.81 -0.632 . . . . 25.0 112.082 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 68.8 mt -57.87 -35.19 50.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 O-C-N 121.879 -0.513 . . . . 25.0 110.493 -176.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 93.2 p -65.59 -18.99 65.73 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.382 0.512 . . . . 25.0 112.382 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 14.1 mt -94.14 -13.38 26.8 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 123.415 0.447 . . . . 25.0 110.766 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 113.7 37.23 1.31 Allowed Glycine 0 C--O 1.214 -1.126 0 N-CA-C 113.835 0.294 . . . . 25.0 113.835 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -108.61 128.92 55.25 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.008 -1.108 . . . . 25.0 108.008 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -84.51 51.33 2.08 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.487 0.66 . . . . 25.0 110.31 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 41.7 mt -120.19 80.86 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.507 0.67 . . . . 25.0 109.234 -175.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -125.21 51.41 0.83 Allowed Glycine 0 C--O 1.221 -0.676 0 N-CA-C 114.524 0.57 . . . . 25.0 114.524 -174.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 66.54 12.13 8.54 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.619 1.168 . . . . 25.0 112.529 -177.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -66.71 155.14 90.09 Favored Pre-proline 0 C--N 1.324 -0.539 0 N-CA-C 105.542 -2.021 . . . . 25.0 105.542 175.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -68.23 -20.7 42.89 Favored 'Trans proline' 0 N--CA 1.471 0.171 0 C-N-CA 113.916 -3.589 . . . . 25.0 112.803 -177.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -80.78 -36.75 31.4 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 108.315 -0.994 . . . . 25.0 108.315 177.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -65.1 -42.88 96.34 Favored Glycine 0 C--O 1.205 -1.716 0 N-CA-C 109.615 -1.394 . . . . 25.0 109.615 178.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.53 -36.96 79.68 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.75 -0.853 . . . . 25.0 111.498 177.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.05 -38.3 90.65 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.648 0.261 . . . . 25.0 111.177 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -90.31 -17.0 28.14 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-O 121.479 0.657 . . . . 25.0 110.821 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -75.36 -33.52 61.07 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 108.042 -1.096 . . . . 25.0 108.042 175.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.12 -33.69 71.17 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.098 0.407 . . . . 25.0 112.098 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 23.3 ptt180 -80.55 -30.74 37.08 Favored 'General case' 0 C--O 1.214 -0.776 0 N-CA-C 108.547 -0.909 . . . . 25.0 108.547 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 59.1 mt -68.53 -48.55 71.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 122.495 0.318 . . . . 25.0 111.328 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 10.2 ptm -61.67 -27.55 68.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.986 0.422 . . . . 25.0 110.866 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 46.6 m -74.49 -16.27 60.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.768 0.318 . . . . 25.0 111.718 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 81.9 mt -97.31 -48.37 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-O 121.3 0.572 . . . . 25.0 110.643 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.411 ' HB ' HG13 ' A' ' 807' ' ' VAL . 21.7 m -75.85 -14.06 15.1 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 CA-C-N 115.572 -0.74 . . . . 25.0 112.389 -176.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -152.73 66.18 6.11 Favored Pre-proline 0 CA--C 1.545 0.752 0 CA-C-O 121.415 0.626 . . . . 25.0 112.186 -175.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -73.41 -12.12 24.92 Favored 'Trans proline' 0 CA--C 1.535 0.533 0 C-N-CA 117.415 -1.257 . . . . 25.0 111.507 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.84 -7.34 59.22 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 116.099 -0.5 . . . . 25.0 110.32 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 51.4 mmm-85 55.88 45.9 23.18 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 124.483 1.114 . . . . 25.0 111.342 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 87.3 mt -69.11 -24.68 64.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.754 -1.112 . . . . 25.0 108.867 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.86 19.27 58.17 Favored Glycine 0 C--N 1.316 -0.544 0 N-CA-C 111.053 -0.819 . . . . 25.0 111.053 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 3.5 m -147.92 155.55 9.96 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 CA-C-O 121.273 0.559 . . . . 25.0 109.721 -177.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 807' ' ' VAL . . . . . 0.411 HG13 ' HB ' ' A' ' 799' ' ' VAL . 16.6 t -130.36 133.17 64.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.19 -0.914 . . . . 25.0 109.888 -178.432 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.97 160.62 14.19 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 109.151 -0.685 . . . . 25.0 109.151 179.513 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -51.9 -42.99 63.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.408 0.623 . . . . 25.0 110.219 178.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -23.61 60.89 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 121.78 -0.575 . . . . 25.0 109.667 -174.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -74.85 -40.27 61.1 Favored 'General case' 0 C--O 1.21 -0.982 0 C-N-CA 120.603 -0.439 . . . . 25.0 111.694 -177.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 812' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -69.84 -29.38 66.63 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 118.877 -1.129 . . . . 25.0 109.587 178.386 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 22.2 mm -62.9 -27.7 43.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 121.806 -0.558 . . . . 25.0 109.642 176.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -61.77 -41.86 98.24 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.378 -0.601 . . . . 25.0 109.378 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -84.19 -23.39 30.56 Favored 'General case' 0 C--O 1.212 -0.901 0 C-N-CA 119.251 -0.98 . . . . 25.0 112.098 178.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -64.13 -31.77 73.08 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 107.63 -1.248 . . . . 25.0 107.63 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 31.9 t -61.25 -30.11 70.26 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.799 0.809 . . . . 25.0 111.29 175.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 60.4 mtt180 -89.85 -25.5 21.0 Favored 'General case' 0 C--O 1.214 -0.81 0 CA-C-N 115.417 -0.81 . . . . 25.0 111.98 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -73.27 -36.11 66.28 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 109.275 -0.639 . . . . 25.0 109.275 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.38 27.46 4.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.771 0.796 . . . . 25.0 110.03 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -61.93 -28.52 69.59 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 114.492 1.293 . . . . 25.0 114.492 -176.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -54.08 145.41 17.03 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 114.508 1.299 . . . . 25.0 114.508 -175.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 5.8 m -63.74 142.39 58.42 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 114.37 -1.286 . . . . 25.0 111.859 -178.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -62.46 135.54 57.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.455 -0.793 . . . . 25.0 109.54 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 13.2 t -67.91 -26.85 66.19 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.233 0.827 . . . . 25.0 113.233 -176.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -74.78 -31.68 61.83 Favored 'General case' 0 C--O 1.238 0.457 0 O-C-N 121.689 -0.632 . . . . 25.0 110.02 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.42 -35.72 81.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.083 0.468 . . . . 25.0 109.963 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -60.65 -48.56 81.25 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-O 121.376 0.608 . . . . 25.0 112.604 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 10.2 p -73.93 -33.58 37.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 -176.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 8.5 tpt -64.42 -42.07 96.25 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 122.272 1.034 . . . . 25.0 109.824 177.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -63.82 -35.73 81.57 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 115.839 -0.619 . . . . 25.0 110.167 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 21.4 t -60.53 -43.54 97.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.074 0.398 . . . . 25.0 112.074 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -63.31 -35.29 79.87 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.25 -0.58 . . . . 25.0 109.99 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -69.12 -19.04 64.03 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 123.068 0.547 . . . . 25.0 112.456 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 66.4 mt -83.73 -39.56 15.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 N-CA-C 108.136 -1.061 . . . . 25.0 108.136 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 836' ' ' LEU . . . . . 0.449 ' HG ' HD11 ' A' ' 843' ' ' ILE . 0.3 OUTLIER -84.69 -33.41 23.18 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.462 0.542 . . . . 25.0 112.462 -174.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.883 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -74.97 -47.51 28.99 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 106.411 -1.7 . . . . 25.0 106.411 174.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 54.83 -97.52 0.04 OUTLIER Glycine 0 CA--C 1.489 -1.556 0 CA-C-N 112.153 -2.294 . . . . 25.0 114.23 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -83.34 0.81 44.25 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 120.178 -0.609 . . . . 25.0 112.543 -175.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -95.95 143.9 26.73 Favored 'General case' 0 CA--C 1.502 -0.886 0 N-CA-C 106.364 -1.717 . . . . 25.0 106.364 175.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -86.86 7.56 26.67 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.392 0.615 . . . . 25.0 109.941 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -152.79 174.84 13.55 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.079 -0.712 . . . . 25.0 109.079 -177.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 843' ' ' ILE . . . . . 0.883 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.2 OUTLIER -137.36 155.13 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 N-CA-C 107.215 -1.402 . . . . 25.0 107.215 -177.134 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 73.8 p -104.78 161.01 14.53 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 108.215 -1.032 . . . . 25.0 108.215 173.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 73.0 mtm -60.69 -37.72 82.56 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.189 -0.914 . . . . 25.0 109.046 176.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.38 -38.55 91.44 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.17 -0.468 . . . . 25.0 111.801 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -67.28 -48.43 67.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.324 -0.398 . . . . 25.0 110.91 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.9 pp -72.6 -28.77 62.98 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.311 -0.956 . . . . 25.0 111.077 -177.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -74.92 -12.99 60.48 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 121.212 -0.93 . . . . 25.0 111.195 177.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -73.3 -24.77 60.44 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.41 -0.806 . . . . 25.0 109.009 177.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -97.06 -31.98 12.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 123.607 0.567 . . . . 25.0 110.994 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.76 75.54 70.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 109.865 -0.42 . . . . 25.0 109.865 175.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -54.46 -35.3 84.77 Favored 'Trans proline' 0 CA--C 1.548 1.188 0 N-CA-C 118.682 2.532 . . . . 25.0 118.682 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -77.12 -162.0 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 C-N-CA 115.715 -2.39 . . . . 25.0 113.201 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -53.57 -16.2 1.45 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 114.65 1.352 . . . . 25.0 114.65 -177.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 31.3 mm100 -52.24 -44.88 65.1 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 121.801 -0.562 . . . . 25.0 110.316 174.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.67 -38.52 91.43 Favored 'General case' 0 C--O 1.214 -0.781 0 C-N-CA 120.898 -0.321 . . . . 25.0 111.601 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -66.99 -40.28 87.33 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.067 0.46 . . . . 25.0 110.342 -177.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -66.34 -32.65 74.18 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 108.315 -0.995 . . . . 25.0 108.315 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 63.3 m -71.54 -43.24 66.76 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 122.397 -0.189 . . . . 25.0 110.557 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 15.8 mt -64.65 -36.38 77.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.222 -0.659 . . . . 25.0 109.222 179.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.96 -15.17 62.76 Favored 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 111.953 0.353 . . . . 25.0 111.953 177.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -108.34 -30.97 8.04 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 114.013 1.116 . . . . 25.0 114.013 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 8.7 ttm -68.89 153.39 43.88 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 113.473 0.916 . . . . 25.0 113.473 -176.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -82.11 145.04 51.93 Favored Pre-proline 0 C--N 1.317 -0.82 0 N-CA-C 108.765 -0.828 . . . . 25.0 108.765 -177.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -75.75 152.1 37.0 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 120.982 1.121 . . . . 25.0 113.181 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -115.49 125.64 53.31 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 113.132 0.79 . . . . 25.0 113.132 -178.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 6.3 m -131.49 66.69 1.54 Allowed 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.66 -0.867 . . . . 25.0 108.66 177.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -116.26 -167.46 14.83 Favored Glycine 0 N--CA 1.46 0.286 0 CA-C-N 115.422 -0.808 . . . . 25.0 113.721 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -69.84 -29.99 22.6 Favored 'Trans proline' 0 C--N 1.349 0.574 0 N-CA-C 115.313 1.236 . . . . 25.0 115.313 -178.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -96.91 29.58 3.01 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 109.331 -0.618 . . . . 25.0 109.331 -178.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 95.9 p -78.26 148.37 33.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 123.202 1.477 . . . . 25.0 112.898 -173.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 15.7 m -135.43 163.35 51.49 Favored Pre-proline 0 C--N 1.319 -0.744 0 N-CA-C 103.082 -2.933 . . . . 25.0 103.082 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -57.67 -23.99 60.49 Favored 'Trans proline' 0 C--N 1.349 0.576 0 N-CA-C 116.32 1.623 . . . . 25.0 116.32 -177.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -109.63 37.67 3.67 Favored Glycine 0 CA--C 1.507 -0.428 0 CA-C-O 119.823 -0.431 . . . . 25.0 113.061 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -91.3 138.37 31.64 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.209 0.528 . . . . 25.0 111.584 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 43.8 mt -134.56 139.49 45.43 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 108.07 -1.085 . . . . 25.0 108.07 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -89.8 103.5 16.15 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 107.057 -1.46 . . . . 25.0 107.057 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -75.93 -35.52 59.72 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-N 115.249 -0.887 . . . . 25.0 109.04 -176.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 1.5 mtp -63.99 -23.97 67.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.239 0.542 . . . . 25.0 110.153 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 4.0 t -87.23 -18.61 29.87 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.104 0.779 . . . . 25.0 113.104 177.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -57.75 -41.49 82.02 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.173 0.511 . . . . 25.0 111.404 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -18.81 8.05 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 114.457 1.28 . . . . 25.0 114.457 175.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 43.0 p -109.25 -16.85 13.97 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 114.099 1.148 . . . . 25.0 114.099 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -156.72 136.48 12.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.867 0.365 . . . . 25.0 111.395 -177.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -144.75 145.37 31.65 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 105.941 -1.874 . . . . 25.0 105.941 176.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -126.09 -2.09 7.06 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 114.307 1.225 . . . . 25.0 114.307 -175.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -85.56 2.89 87.82 Favored Glycine 0 CA--C 1.508 -0.36 0 N-CA-C 114.956 0.742 . . . . 25.0 114.956 -176.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -71.53 148.82 46.35 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 107.841 -1.17 . . . . 25.0 107.841 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 74.0 m -147.6 173.16 12.98 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 107.088 -1.449 . . . . 25.0 107.088 -176.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 58.18 45.37 17.56 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 124.352 1.033 . . . . 25.0 110.114 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 73.2 mt . . . . . 0 C--O 1.243 0.74 0 CA-C-N 114.043 -1.435 . . . . 25.0 109.074 179.218 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.064 0 N-CA-C 111.366 -0.693 . . . . 25.0 111.366 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 28.7 t -164.7 146.91 8.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 105.531 -2.025 . . . . 25.0 105.531 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 36.9 p -78.69 -30.93 46.34 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.748 -1.204 . . . . 25.0 107.748 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 3.6 mt -80.29 115.87 23.49 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.784 0 N-CA-C 115.774 1.768 . . . . 25.0 115.774 -178.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 73.9 m -94.54 173.96 7.36 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 111.294 -2.685 . . . . 25.0 105.902 170.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -62.77 -33.43 75.15 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 120.644 -1.285 . . . . 25.0 110.82 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -73.15 -22.93 60.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 119.54 -0.266 . . . . 25.0 111.0 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.26 -55.74 6.02 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-O 120.986 0.422 . . . . 25.0 110.834 178.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 23.0 ptp -58.51 -25.4 62.34 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 119.505 -0.878 . . . . 25.0 110.418 178.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -54.97 28.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.568 -0.742 . . . . 25.0 110.032 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -72.72 -30.64 64.36 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 110.167 -0.309 . . . . 25.0 110.167 -176.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -60.23 -50.31 74.16 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.206 -0.664 . . . . 25.0 109.206 175.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -65.67 -42.31 91.44 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 120.947 -0.301 . . . . 25.0 110.71 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -67.21 -37.93 84.44 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 113.132 0.789 . . . . 25.0 113.132 -177.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 50.9 m -68.74 -42.7 77.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 118.045 0.384 . . . . 25.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -41.68 94.86 Favored 'General case' 0 C--O 1.209 -1.076 0 N-CA-C 107.913 -1.143 . . . . 25.0 107.913 177.14 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.32 -29.42 64.99 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.952 0.723 . . . . 25.0 112.952 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -72.14 -31.67 66.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.136 0.494 . . . . 25.0 110.365 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -89.1 -39.37 13.67 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 109.174 -0.676 . . . . 25.0 109.174 178.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 759' ' ' ASP . . . . . 0.436 ' HA ' HD21 ' A' ' 766' ' ' LEU . 48.1 t0 -90.79 71.18 6.62 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 122.758 1.266 . . . . 25.0 108.287 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -79.99 -0.5 35.59 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 113.911 -1.495 . . . . 25.0 110.427 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -93.87 -11.49 31.0 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 107.431 -1.322 . . . . 25.0 107.431 177.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 55.43 36.73 27.72 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 114.395 -1.275 . . . . 25.0 112.35 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 40.2 t -69.83 -26.7 64.36 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 114.863 -1.062 . . . . 25.0 109.885 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 93.65 -1.57 68.99 Favored Glycine 0 C--O 1.238 0.372 0 N-CA-C 109.81 -1.316 . . . . 25.0 109.81 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 16.3 p -147.95 154.93 40.98 Favored 'General case' 0 CA--C 1.506 -0.738 0 C-N-CA 123.453 0.701 . . . . 25.0 109.922 -176.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 766' ' ' LEU . . . . . 0.475 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 21.3 mt -137.7 173.38 11.71 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.24 -1.022 . . . . 25.0 108.24 177.153 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.13 174.26 55.29 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 121.102 -0.57 . . . . 25.0 111.75 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.71 -27.93 31.32 Favored 'Trans proline' 0 C--O 1.225 -0.166 0 C-N-CA 121.099 1.2 . . . . 25.0 112.322 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -82.71 -37.7 24.37 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.786 0.327 . . . . 25.0 110.379 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -67.38 -53.59 27.98 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.614 -0.267 . . . . 25.0 110.458 -178.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 771' ' ' PHE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -58.62 -30.95 67.65 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 112.923 0.712 . . . . 25.0 112.923 174.086 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -65.13 -44.4 88.81 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.608 0.64 . . . . 25.0 109.875 177.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -72.52 -24.94 61.22 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.035 0.445 . . . . 25.0 110.921 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 49.4 t -63.12 -35.75 81.32 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 109.621 -0.511 . . . . 25.0 109.621 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 14.8 mt -64.58 -35.65 81.66 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-O 121.903 0.859 . . . . 25.0 109.719 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 61.4 mt -60.92 -32.52 52.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 O-C-N 121.575 -0.703 . . . . 25.0 110.48 -176.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 19.1 t -61.8 -21.72 64.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.366 -0.379 . . . . 25.0 111.617 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 18.0 mt -92.32 -20.7 20.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.198 0.523 . . . . 25.0 110.22 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 124.45 20.06 2.47 Favored Glycine 0 C--O 1.218 -0.886 0 N-CA-C 115.084 0.794 . . . . 25.0 115.084 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -87.49 141.71 28.42 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.536 -1.283 . . . . 25.0 107.536 -177.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -96.17 35.01 1.49 Allowed 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.088 -0.96 . . . . 25.0 111.091 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 77.8 mt -108.41 87.45 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 105.469 -2.048 . . . . 25.0 105.469 -177.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -154.11 87.14 0.13 Allowed Glycine 0 C--O 1.228 -0.276 0 N-CA-C 118.351 2.1 . . . . 25.0 118.351 -173.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 59.17 27.85 16.97 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.074 0.95 . . . . 25.0 112.396 175.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -115.8 161.98 27.76 Favored Pre-proline 0 C--N 1.321 -0.665 0 N-CA-C 106.131 -1.803 . . . . 25.0 106.131 177.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -73.16 -16.3 25.27 Favored 'Trans proline' 0 CA--C 1.511 -0.64 0 C-N-CA 116.453 -1.898 . . . . 25.0 114.71 -177.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -85.11 -39.32 18.06 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 118.792 -1.163 . . . . 25.0 108.253 -175.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -65.47 -43.38 94.86 Favored Glycine 0 C--O 1.201 -1.927 0 N-CA-C 109.537 -1.425 . . . . 25.0 109.537 178.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -58.96 -35.85 73.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 118.691 1.246 . . . . 25.0 111.374 177.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.9 -32.6 74.18 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-O 119.149 -0.453 . . . . 25.0 111.097 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -97.57 -20.91 17.38 Favored 'General case' 0 N--CA 1.424 -1.738 0 N-CA-C 109.754 -0.461 . . . . 25.0 109.754 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.08 -33.01 65.37 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 106.497 -1.668 . . . . 25.0 106.497 178.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.59 -29.77 68.2 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.826 0.822 . . . . 25.0 112.991 177.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.6 -39.2 24.86 Favored 'General case' 0 N--CA 1.503 2.193 0 N-CA-C 107.239 -1.393 . . . . 25.0 107.239 178.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 72.4 mt -60.08 -49.54 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.244 0 CA-C-N 116.188 -0.46 . . . . 25.0 110.382 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 25.9 ptm -62.04 -28.35 69.53 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-O 121.007 0.432 . . . . 25.0 110.585 -177.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 59.4 m -72.78 -19.7 61.3 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.869 -0.519 . . . . 25.0 111.589 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 75.8 mt -94.68 -47.7 13.2 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 CA-C-O 121.121 0.486 . . . . 25.0 110.354 -177.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.433 ' HB ' HG13 ' A' ' 807' ' ' VAL . 26.4 m -74.75 -14.12 15.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 112.56 0.578 . . . . 25.0 112.56 -176.386 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -150.93 70.25 8.56 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.268 -0.878 . . . . 25.0 110.425 -176.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -72.7 -14.45 27.13 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 117.367 -1.289 . . . . 25.0 111.69 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.5 -9.05 58.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.471 -0.331 . . . . 25.0 111.313 -178.457 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 25.5 mmt85 58.92 46.43 13.76 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.042 0.839 . . . . 25.0 111.752 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 84.1 mt -71.27 -26.52 62.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.26 -1.336 . . . . 25.0 109.283 176.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 87.84 20.14 51.43 Favored Glycine 0 C--O 1.227 -0.317 0 CA-C-N 115.448 -0.796 . . . . 25.0 111.724 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 13.5 m -146.3 157.56 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 109.46 -0.571 . . . . 25.0 109.46 -176.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 807' ' ' VAL . . . . . 0.433 HG13 ' HB ' ' A' ' 799' ' ' VAL . 15.8 t -131.79 133.47 61.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 123.191 0.596 . . . . 25.0 110.239 -178.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.31 160.49 14.3 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.577 -0.527 . . . . 25.0 109.577 178.672 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -52.69 -43.07 65.34 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-O 121.892 0.853 . . . . 25.0 110.314 178.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -20.72 59.45 Favored 'General case' 0 C--N 1.314 -0.945 0 O-C-N 121.736 -0.602 . . . . 25.0 110.002 -174.318 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -77.01 -39.68 49.41 Favored 'General case' 0 C--O 1.217 -0.63 0 C-N-CA 120.172 -0.611 . . . . 25.0 110.892 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.412 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 0.7 OUTLIER -68.17 -31.48 71.06 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 118.635 -1.226 . . . . 25.0 109.05 177.081 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 17.0 mm -64.83 -28.33 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 109.128 -0.693 . . . . 25.0 109.128 178.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -61.64 -44.89 96.13 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.912 -0.315 . . . . 25.0 110.672 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 815' ' ' PHE . . . . . 0.412 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.7 p90 -78.48 -23.68 46.3 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.276 -0.969 . . . . 25.0 111.011 177.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -22.51 66.95 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 108.137 -1.06 . . . . 25.0 108.137 -177.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 35.1 t -57.74 -28.49 63.96 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.895 -0.503 . . . . 25.0 112.134 177.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -66.63 -28.98 68.91 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-O 121.983 0.897 . . . . 25.0 110.162 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -84.27 -21.74 30.99 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.478 -1.237 . . . . 25.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.68 -9.62 59.6 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.2 0.524 . . . . 25.0 109.901 178.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -77.37 62.25 2.34 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.749 0.819 . . . . 25.0 112.22 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -77.06 -21.98 53.61 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.138 0.792 . . . . 25.0 113.138 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 4.7 p -148.78 160.79 42.87 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.933 -1.136 . . . . 25.0 107.933 -178.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -87.75 170.12 11.5 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.186 -1.042 . . . . 25.0 108.186 175.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 18.7 p -64.93 -26.3 68.25 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 115.547 1.684 . . . . 25.0 115.547 -175.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -88.91 -34.34 16.96 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 121.72 -0.613 . . . . 25.0 112.503 178.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -67.43 -38.15 84.11 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 121.837 -0.539 . . . . 25.0 111.095 -176.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -56.53 -40.45 75.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.359 0.599 . . . . 25.0 112.061 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 7.5 p -88.61 -30.75 5.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.562 -0.744 . . . . 25.0 109.31 -174.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 22.9 ttm -65.71 -37.34 86.18 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 109.863 -0.421 . . . . 25.0 109.863 176.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -57.14 -36.42 70.69 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.127 -0.323 . . . . 25.0 110.127 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 15.7 m -71.55 -44.29 64.83 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 121.094 -0.242 . . . . 25.0 110.999 -178.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -63.7 -39.59 94.68 Favored 'General case' 0 C--O 1.206 -1.186 0 C-N-CA 119.883 -0.727 . . . . 25.0 109.733 178.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -55.62 -27.1 47.73 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.197 0.599 . . . . 25.0 112.589 -177.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 59.7 mt -71.96 -46.49 59.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.162 -0.681 . . . . 25.0 109.162 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.75 -27.2 27.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.844 0.831 . . . . 25.0 111.971 -176.073 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.572 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -79.99 -14.15 58.8 Favored 'General case' 0 C--O 1.205 -1.273 0 CA-C-N 115.212 -0.904 . . . . 25.0 113.107 -177.077 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -57.47 -16.24 20.69 Favored Glycine 0 C--O 1.22 -0.73 0 O-C-N 123.382 0.426 . . . . 25.0 114.042 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -64.98 -29.97 70.92 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.461 0.704 . . . . 25.0 110.917 174.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -138.03 -165.09 1.73 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.097 0.559 . . . . 25.0 109.906 -175.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -107.57 9.0 29.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.156 -0.34 . . . . 25.0 110.525 175.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -156.89 -179.54 8.31 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.858 -0.423 . . . . 25.0 109.858 -176.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 843' ' ' ILE . . . . . 0.572 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.2 OUTLIER -134.19 151.71 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 108.581 -0.896 . . . . 25.0 108.581 -178.262 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 64.3 p -102.72 162.68 12.73 Favored 'General case' 0 C--N 1.315 -0.935 0 O-C-N 120.978 -1.076 . . . . 25.0 108.777 173.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 71.9 mtm -60.06 -36.09 76.58 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.155 -0.929 . . . . 25.0 110.3 177.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -68.14 -40.1 82.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.082 -0.508 . . . . 25.0 111.3 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -67.32 -45.42 76.5 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 116.108 -0.496 . . . . 25.0 111.631 -178.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.0 pp -70.02 -26.4 64.04 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.399 -0.921 . . . . 25.0 110.247 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -75.37 -11.24 60.01 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 121.662 -0.649 . . . . 25.0 111.403 177.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -70.06 -27.82 64.95 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 176.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -82.98 -46.67 12.61 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.427 -0.806 . . . . 25.0 109.717 -178.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.74 82.66 59.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.309 -0.86 . . . . 25.0 110.206 -178.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -60.86 -27.0 84.1 Favored 'Trans proline' 0 CA--C 1.549 1.229 0 N-CA-C 118.453 2.444 . . . . 25.0 118.453 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -75.77 -164.58 0.25 Allowed 'Trans proline' 0 C--N 1.362 1.254 0 C-N-CA 113.539 -3.841 . . . . 25.0 112.541 177.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -57.37 -14.11 4.27 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 115.251 1.575 . . . . 25.0 115.251 -177.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -50.4 -40.2 49.27 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.716 -0.615 . . . . 25.0 110.895 173.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.78 95.18 Favored 'General case' 0 C--O 1.213 -0.833 0 C-N-CA 120.668 -0.413 . . . . 25.0 111.281 178.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -63.44 -44.33 94.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.883 0.849 . . . . 25.0 108.796 -177.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -65.92 -33.66 76.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.452 -0.795 . . . . 25.0 109.511 178.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 56.9 m -70.35 -38.08 74.74 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 122.339 -0.226 . . . . 25.0 111.008 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 20.2 mt -64.7 -31.81 55.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.12 -0.696 . . . . 25.0 109.12 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -77.31 -14.07 59.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 122.372 1.082 . . . . 25.0 109.752 -176.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.06 -12.45 14.84 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.049 -0.978 . . . . 25.0 111.568 -175.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 9.0 ttm -88.26 172.48 9.41 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.067 0.46 . . . . 25.0 111.666 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -99.21 145.78 30.61 Favored Pre-proline 0 CA--C 1.545 0.785 0 N-CA-C 107.577 -1.268 . . . . 25.0 107.577 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -76.17 154.71 37.3 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 120.709 0.939 . . . . 25.0 113.786 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -123.73 124.85 43.64 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 112.9 0.704 . . . . 25.0 112.9 179.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 73.5 p -131.55 42.76 3.15 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 108.359 -0.978 . . . . 25.0 108.359 177.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -84.52 -168.11 43.78 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-N 115.532 -0.758 . . . . 25.0 113.397 -177.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -68.91 -28.16 29.82 Favored 'Trans proline' 0 CA--C 1.536 0.606 0 CA-C-N 118.882 1.341 . . . . 25.0 114.894 -177.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -96.63 20.55 10.62 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.354 0.597 . . . . 25.0 110.027 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 85.9 p -75.55 154.52 36.75 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.926 1.454 . . . . 25.0 114.926 -172.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 6.6 m -137.04 166.39 27.55 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 104.005 -2.591 . . . . 25.0 104.005 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -68.09 -2.58 9.09 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 116.928 -1.581 . . . . 25.0 115.637 -177.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -126.03 40.03 1.91 Allowed Glycine 0 CA--C 1.509 -0.321 0 N-CA-C 111.588 -0.605 . . . . 25.0 111.588 176.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -95.54 139.4 31.86 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 112.468 0.544 . . . . 25.0 112.468 -177.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 63.7 mt -136.54 142.81 43.45 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.423 -0.954 . . . . 25.0 108.423 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -91.82 107.0 18.9 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 107.544 -1.28 . . . . 25.0 107.544 178.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -76.87 -34.41 57.79 Favored 'General case' 0 CA--C 1.497 -1.07 0 CA-C-N 115.274 -0.876 . . . . 25.0 109.144 -177.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -27.27 67.63 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.077 -0.51 . . . . 25.0 109.944 -179.262 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.3 t -86.03 -10.66 54.63 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 113.161 0.8 . . . . 25.0 113.161 -176.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -59.02 -38.4 79.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.238 0.542 . . . . 25.0 111.604 -177.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 20.4 p -65.5 -14.23 60.58 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.909 -0.494 . . . . 25.0 112.035 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 44.4 p -109.25 -15.66 14.23 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.906 0.706 . . . . 25.0 112.906 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -157.92 131.58 7.84 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.155 0.502 . . . . 25.0 112.006 -177.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -149.09 156.73 42.64 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 105.76 -1.941 . . . . 25.0 105.76 177.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -128.8 -3.22 5.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.003 0.43 . . . . 25.0 111.319 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -102.31 -129.07 6.55 Favored Glycine 0 C--O 1.228 -0.273 0 N-CA-C 108.741 -1.743 . . . . 25.0 108.741 174.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -126.78 145.4 50.64 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.306 -0.998 . . . . 25.0 108.306 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 35.8 p -104.25 -8.03 19.63 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 113.944 1.09 . . . . 25.0 113.944 -176.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -97.58 20.48 11.74 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.326 0.584 . . . . 25.0 111.655 -172.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 9.2 tp . . . . . 0 C--O 1.256 1.423 0 CA-C-O 118.015 -0.993 . . . . 25.0 112.215 -179.305 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.803 0 N-CA-C 112.514 -0.234 . . . . 25.0 112.514 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 82.5 p -164.92 171.36 14.15 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 103.531 -2.766 . . . . 25.0 103.531 176.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 30.7 p -84.17 10.34 10.49 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 118.616 0.644 . . . . 25.0 110.667 176.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 4.4 mt -79.39 117.41 25.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 117.385 2.365 . . . . 25.0 117.385 -175.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 50.5 m -92.23 170.74 9.57 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 112.366 -2.197 . . . . 25.0 105.797 169.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -60.1 -32.34 70.89 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.311 -1.493 . . . . 25.0 111.691 177.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -74.39 -24.1 59.08 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 122.303 -0.248 . . . . 25.0 110.458 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.77 -53.59 11.18 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 121.405 0.621 . . . . 25.0 110.305 178.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 24.6 ptp -60.06 -25.67 65.55 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 119.294 -0.962 . . . . 25.0 109.978 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -52.55 61.41 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.83 -0.433 . . . . 25.0 109.83 178.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -73.21 -30.18 63.33 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 110.048 -0.352 . . . . 25.0 110.048 -177.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -63.57 -44.3 94.49 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.273 0.558 . . . . 25.0 109.722 176.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -67.03 -42.75 84.35 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 109.119 -0.697 . . . . 25.0 109.119 178.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -66.92 -38.23 85.82 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 113.424 0.898 . . . . 25.0 113.424 -177.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 17.2 p -70.38 -42.93 71.11 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 118.797 0.726 . . . . 25.0 109.766 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -40.52 84.89 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 108.434 -0.95 . . . . 25.0 108.434 176.206 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.23 -31.17 65.58 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-O 121.42 0.629 . . . . 25.0 112.242 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -67.12 -32.37 73.46 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 121.705 -0.622 . . . . 25.0 110.286 -178.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -92.22 -41.67 10.29 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 108.748 -0.834 . . . . 25.0 108.748 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -90.46 71.73 6.97 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 122.662 1.22 . . . . 25.0 109.229 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 36.9 mtm180 -80.93 1.0 32.88 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 113.975 -1.466 . . . . 25.0 110.939 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -96.53 -9.87 28.59 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.053 -1.091 . . . . 25.0 108.053 178.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 54.68 39.61 31.39 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.823 1.249 . . . . 25.0 111.946 -178.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 47.5 t -68.76 -24.71 64.47 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.291 -1.004 . . . . 25.0 108.291 176.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 90.56 -3.84 81.84 Favored Glycine 0 C--O 1.243 0.669 0 N-CA-C 109.201 -1.56 . . . . 25.0 109.201 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 19.2 p -145.66 158.84 43.8 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 123.632 0.773 . . . . 25.0 109.783 -175.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 766' ' ' LEU . . . . . 0.479 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 25.3 mt -139.95 173.59 11.37 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.906 -1.146 . . . . 25.0 107.906 175.468 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -85.67 -179.27 50.3 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 110.267 -1.133 . . . . 25.0 110.267 -178.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -68.56 -32.17 25.23 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 121.659 1.573 . . . . 25.0 115.207 -174.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -84.87 -35.78 21.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.51 -0.744 . . . . 25.0 109.408 -178.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -63.2 -53.96 44.96 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.261 -0.427 . . . . 25.0 110.428 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 771' ' ' PHE . . . . . 0.479 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -61.59 -28.79 69.6 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 113.489 0.922 . . . . 25.0 113.489 173.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -65.79 -48.6 71.22 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 108.966 -0.753 . . . . 25.0 108.966 177.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -69.15 -24.1 64.04 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.539 0.685 . . . . 25.0 111.006 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 51.8 t -62.96 -31.62 72.77 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.546 -0.752 . . . . 25.0 109.908 177.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 15.9 mt -70.83 -33.81 71.05 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-O 121.64 0.733 . . . . 25.0 109.952 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 54.8 mt -60.83 -32.84 53.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 O-C-N 121.677 -0.64 . . . . 25.0 110.201 -176.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 41.2 m -63.14 -18.36 63.36 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.164 -0.471 . . . . 25.0 112.174 177.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 15.0 mt -97.04 -15.57 20.97 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 123.128 0.571 . . . . 25.0 111.169 178.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 119.12 22.4 3.52 Favored Glycine 0 C--O 1.218 -0.852 0 N-CA-C 115.371 0.908 . . . . 25.0 115.371 178.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -93.37 148.57 21.94 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.57 -1.27 . . . . 25.0 107.57 -177.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -101.45 31.05 3.91 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 122.396 1.093 . . . . 25.0 109.668 178.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 42.2 mt -103.3 97.93 6.19 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.789 0 N-CA-C 106.914 -1.513 . . . . 25.0 106.914 -177.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -142.09 -138.76 3.53 Favored Glycine 0 C--O 1.253 1.304 0 N-CA-C 109.833 -1.307 . . . . 25.0 109.833 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -82.47 5.13 21.6 Favored 'General case' 0 N--CA 1.435 -1.175 0 O-C-N 121.567 -0.961 . . . . 25.0 109.843 176.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.33 141.64 93.82 Favored Pre-proline 0 C--N 1.317 -0.814 0 N-CA-C 105.581 -2.007 . . . . 25.0 105.581 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -69.08 -21.08 37.16 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 117.309 -1.327 . . . . 25.0 114.33 -171.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -80.32 -36.52 34.14 Favored 'General case' 0 C--O 1.221 -0.425 0 N-CA-C 108.021 -1.104 . . . . 25.0 108.021 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -65.16 -46.07 89.24 Favored Glycine 0 C--O 1.201 -1.959 0 N-CA-C 109.292 -1.523 . . . . 25.0 109.292 177.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.91 -37.55 76.88 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 121.74 -0.859 . . . . 25.0 111.666 177.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.02 -40.21 97.05 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 110.392 -0.225 . . . . 25.0 110.392 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -88.78 -16.86 31.09 Favored 'General case' 0 C--O 1.249 1.052 0 N-CA-C 110.381 -0.229 . . . . 25.0 110.381 -178.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.55 -30.66 61.83 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 107.738 -1.208 . . . . 25.0 107.738 173.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -61.97 -30.84 71.2 Favored 'General case' 0 CA--C 1.569 1.68 0 CA-C-O 119.711 -0.185 . . . . 25.0 110.798 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -40.9 63.16 Favored 'General case' 0 C--O 1.203 -1.388 0 CA-C-O 123.064 1.411 . . . . 25.0 109.07 176.088 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 58.9 mt -61.72 -50.12 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.674 0 CA-C-N 114.059 -1.428 . . . . 25.0 110.491 -174.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 17.5 ptt? -62.43 -22.97 66.6 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 111.896 0.332 . . . . 25.0 111.896 -178.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 21.4 m -83.33 -19.14 36.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.43 -0.35 . . . . 25.0 111.632 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 70.0 mt -93.71 -47.77 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 CA-C-O 121.0 0.428 . . . . 25.0 110.064 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 19.3 m -74.94 -13.38 15.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 N-CA-C 113.056 0.761 . . . . 25.0 113.056 -177.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -156.25 70.65 5.03 Favored Pre-proline 0 C--O 1.243 0.742 0 CA-C-N 115.524 -0.762 . . . . 25.0 110.242 -175.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -72.87 -15.05 26.65 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 117.573 -1.152 . . . . 25.0 112.194 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.59 -4.77 59.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 25.0 110.459 -178.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 57.2 42.71 25.04 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 124.188 0.93 . . . . 25.0 111.561 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 80.8 mt -69.08 -25.22 64.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.065 -0.97 . . . . 25.0 108.945 176.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 88.3 18.87 54.59 Favored Glycine 0 C--O 1.224 -0.512 0 CA-C-N 116.25 -0.432 . . . . 25.0 112.642 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 15.6 m -142.39 153.86 18.16 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 CA-C-N 117.521 0.661 . . . . 25.0 110.322 -178.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 9.3 t -130.53 132.93 64.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 115.648 -0.706 . . . . 25.0 109.175 -178.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.4 161.11 13.94 Favored 'General case' 0 CA--C 1.502 -0.868 0 N-CA-C 109.039 -0.726 . . . . 25.0 109.039 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -51.82 -43.16 63.01 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-O 121.807 0.813 . . . . 25.0 110.141 178.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.86 -22.56 56.08 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 119.917 -0.713 . . . . 25.0 110.391 -174.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -71.9 -39.07 69.8 Favored 'General case' 0 C--O 1.212 -0.878 0 C-N-CA 120.319 -0.553 . . . . 25.0 110.93 -178.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 812' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -71.5 -29.78 65.2 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 118.576 -1.25 . . . . 25.0 110.052 177.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 16.3 mm -63.72 -28.53 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 121.199 0.523 . . . . 25.0 110.037 177.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -57.18 -53.39 58.62 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.098 -0.705 . . . . 25.0 109.098 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -76.14 -22.68 55.17 Favored 'General case' 0 C--O 1.212 -0.878 0 C-N-CA 118.967 -1.093 . . . . 25.0 111.183 -176.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -63.01 -36.55 83.94 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 107.93 -1.137 . . . . 25.0 107.93 -176.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 41.0 t -68.67 -36.77 78.97 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 109.803 -0.443 . . . . 25.0 109.803 176.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 -70.79 -35.6 72.64 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.695 -0.628 . . . . 25.0 110.969 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -73.28 -23.79 60.34 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 110.065 -0.346 . . . . 25.0 110.065 177.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 50.6 m -66.78 -41.02 88.34 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 108.361 -0.978 . . . . 25.0 108.361 176.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . 50.9 39.13 21.87 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.477 0.917 . . . . 25.0 113.477 177.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -87.68 -173.2 4.21 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.614 0.721 . . . . 25.0 112.789 -178.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 14.5 t -124.04 161.8 24.79 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 105.59 -2.004 . . . . 25.0 105.59 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -154.17 157.69 39.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 118.043 0.383 . . . . 25.0 111.033 -174.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 37.7 p -72.09 -24.98 61.59 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 108.23 -1.026 . . . . 25.0 108.23 177.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -77.39 -10.06 59.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.111 -0.95 . . . . 25.0 111.951 177.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -56.94 -30.31 63.91 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-O 121.272 0.558 . . . . 25.0 110.638 -178.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -56.44 -48.63 76.62 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.821 0.819 . . . . 25.0 112.167 178.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 10.7 p -83.91 -30.99 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.792 -0.64 . . . . 25.0 109.662 -177.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 19.2 ttm -65.31 -34.51 78.52 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-N 116.234 -0.439 . . . . 25.0 110.578 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -55.5 -38.36 69.07 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 116.394 -0.366 . . . . 25.0 110.603 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 92.9 p -66.39 -43.93 84.49 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 120.136 -0.626 . . . . 25.0 110.573 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -67.47 -37.78 83.43 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-O 121.389 0.614 . . . . 25.0 110.496 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -66.24 -21.18 66.29 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 122.917 0.487 . . . . 25.0 111.62 -177.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 50.5 mt -79.81 -42.34 22.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 108.42 -0.956 . . . . 25.0 108.42 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.49 -32.9 23.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.39 0.614 . . . . 25.0 112.52 -177.272 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.488 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -108.28 17.17 22.5 Favored 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 115.967 -0.56 . . . . 25.0 112.43 -176.006 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -67.35 -17.59 68.58 Favored Glycine 0 C--O 1.217 -0.932 0 N-CA-C 108.738 -1.745 . . . . 25.0 108.738 170.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -68.21 -30.78 69.94 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.497 0.719 . . . . 25.0 110.74 176.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -123.12 -155.34 0.65 Allowed 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 107.395 -1.335 . . . . 25.0 107.395 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 24.3 p-10 -127.2 12.58 7.11 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 121.541 -0.725 . . . . 25.0 109.292 175.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 842' ' ' TYR . . . . . 0.406 ' HB3' ' CE1' ' A' ' 867' ' ' TYR . 10.5 p90 -156.55 173.64 16.63 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 108.603 -0.888 . . . . 25.0 108.603 -176.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 843' ' ' ILE . . . . . 0.488 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.4 OUTLIER -131.6 152.06 36.49 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.759 0 N-CA-C 107.953 -1.129 . . . . 25.0 107.953 -176.855 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 37.8 p -99.96 161.75 13.41 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 107.563 -1.273 . . . . 25.0 107.563 175.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 75.9 mtm -59.65 -31.87 69.93 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.558 -0.746 . . . . 25.0 109.31 177.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -71.58 -44.46 64.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.554 -0.748 . . . . 25.0 112.644 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -65.08 -45.58 84.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.963 -0.562 . . . . 25.0 111.504 -177.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.1 pp -67.4 -26.35 66.4 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.353 -0.842 . . . . 25.0 110.69 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -67.76 -18.4 64.87 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.476 -0.765 . . . . 25.0 112.432 176.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 850' ' ' ARG . . . . . 0.401 ' HG2' ' HG2' ' A' ' 851' ' ' GLU . 0.9 OUTLIER -72.29 -26.25 61.9 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 178.422 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 851' ' ' GLU . . . . . 0.401 ' HG2' ' HG2' ' A' ' 850' ' ' ARG . 6.7 mm-40 -83.11 -42.47 17.35 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 115.522 -0.763 . . . . 25.0 110.886 -176.591 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.42 81.56 69.77 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 116.159 -0.473 . . . . 25.0 111.122 -177.187 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -53.86 -32.85 68.92 Favored 'Trans proline' 0 CA--C 1.551 1.337 0 N-CA-C 119.339 2.784 . . . . 25.0 119.339 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -77.4 -167.32 0.46 Allowed 'Trans proline' 0 C--N 1.364 1.394 0 C-N-CA 114.652 -3.099 . . . . 25.0 112.794 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -52.65 -16.49 0.96 Allowed 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 115.754 1.761 . . . . 25.0 115.754 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -49.65 -39.06 34.83 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 122.164 -0.335 . . . . 25.0 111.032 173.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -68.92 -39.17 79.81 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 112.15 0.426 . . . . 25.0 112.15 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -62.7 -43.76 97.98 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.54 -0.911 . . . . 25.0 108.54 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -64.88 -35.72 82.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.264 -0.88 . . . . 25.0 109.838 177.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 24.6 m -66.28 -44.41 83.62 Favored 'General case' 0 C--O 1.213 -0.827 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 22.3 mt -61.58 -40.76 87.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.892 -0.41 . . . . 25.0 109.892 178.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.69 -21.92 66.58 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.79 0.663 . . . . 25.0 112.79 179.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -107.64 -24.89 11.57 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 113.201 0.815 . . . . 25.0 113.201 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 864' ' ' MET . . . . . 0.428 ' HG3' ' HB2' ' A' ' 882' ' ' PHE . 7.0 ttm -66.59 154.7 39.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.522 0.677 . . . . 25.0 111.488 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -80.55 146.4 61.01 Favored Pre-proline 0 C--N 1.318 -0.802 0 N-CA-C 106.728 -1.582 . . . . 25.0 106.728 -177.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -75.79 149.29 33.38 Favored 'Trans proline' 0 CA--C 1.518 -0.277 0 CA-C-N 119.071 0.704 . . . . 25.0 111.481 176.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 867' ' ' TYR . . . . . 0.406 ' CE1' ' HB3' ' A' ' 842' ' ' TYR . 72.3 t80 -109.22 127.95 54.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.339 0.59 . . . . 25.0 112.352 -178.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 73.0 p -134.82 46.22 2.47 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.595 -0.891 . . . . 25.0 108.595 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -93.63 -169.33 38.6 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 111.539 -0.624 . . . . 25.0 111.539 -177.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -71.13 -28.53 18.78 Favored 'Trans proline' 0 C--O 1.214 -0.717 0 CA-C-N 119.038 1.419 . . . . 25.0 114.654 -178.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -99.27 38.42 1.41 Allowed 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 107.65 -1.241 . . . . 25.0 107.65 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 78.1 p -86.93 152.48 22.39 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.454 1.121 . . . . 25.0 113.677 -174.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 11.1 m -134.75 160.73 67.32 Favored Pre-proline 0 C--N 1.317 -0.815 0 N-CA-C 102.939 -2.986 . . . . 25.0 102.939 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -74.99 46.08 1.46 Allowed 'Trans proline' 0 CA--C 1.546 1.08 0 C-N-CA 121.367 1.378 . . . . 25.0 113.713 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -175.31 32.45 0.09 OUTLIER Glycine 0 C--N 1.323 -0.162 0 N-CA-C 109.385 -1.486 . . . . 25.0 109.385 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -100.51 142.97 31.24 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 113.996 -1.102 . . . . 25.0 111.261 -176.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 55.1 mt -133.99 138.18 45.25 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 124.154 0.982 . . . . 25.0 108.372 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -89.65 104.24 16.82 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 106.966 -1.494 . . . . 25.0 106.966 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -80.65 -32.46 36.13 Favored 'General case' 0 CA--C 1.485 -1.522 0 CA-C-N 114.835 -1.075 . . . . 25.0 109.438 -176.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 2.6 mtt -65.97 -30.44 71.01 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 108.826 -0.805 . . . . 25.0 108.826 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.5 t -85.38 -17.75 35.77 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 114.075 1.139 . . . . 25.0 114.075 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 882' ' ' PHE . . . . . 0.428 ' HB2' ' HG3' ' A' ' 864' ' ' MET . 8.1 t80 -58.49 -34.61 71.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.092 0.472 . . . . 25.0 111.911 -177.247 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 21.1 t -56.16 -29.11 60.34 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 112.612 0.597 . . . . 25.0 112.612 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 14.1 t -110.08 -2.08 17.18 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.046 1.128 . . . . 25.0 114.046 -178.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -156.16 129.39 8.11 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.626 -0.671 . . . . 25.0 112.407 -178.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -142.23 149.03 39.1 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 106.659 -1.608 . . . . 25.0 106.659 175.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -122.28 -14.81 7.83 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 115.199 1.555 . . . . 25.0 115.199 -175.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -103.21 28.61 14.97 Favored Glycine 0 C--O 1.222 -0.613 0 N-CA-C 115.339 0.896 . . . . 25.0 115.339 -177.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -66.52 136.15 55.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 117.912 0.856 . . . . 25.0 110.012 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 24.0 p -163.05 168.67 20.65 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.883 0.327 . . . . 25.0 111.883 -174.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -73.24 -17.44 61.34 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 108.204 -1.035 . . . . 25.0 108.204 172.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 65.5 tp . . . . . 0 C--O 1.258 1.533 0 CA-C-O 116.883 -1.532 . . . . 25.0 109.713 177.72 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.762 0 N-CA-C 111.437 -0.665 . . . . 25.0 111.437 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 42.0 m -72.05 175.53 5.86 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 113.25 0.834 . . . . 25.0 113.25 -179.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 31.1 t -148.22 154.68 40.41 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 101.384 -3.561 . . . . 25.0 101.384 176.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 5.5 mt -72.97 115.1 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 123.595 1.664 . . . . 25.0 115.452 -175.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 744' ' ' SER . . . . . 0.416 ' H ' ' HB2' ' A' ' 747' ' ' GLN . 31.3 m -95.59 176.97 5.96 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 111.217 -2.72 . . . . 25.0 106.15 170.616 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -63.17 -36.55 83.99 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 120.851 -1.155 . . . . 25.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 746' ' ' GLU . . . . . 0.507 ' H ' ' CD ' ' A' ' 746' ' ' GLU . 2.0 mp0 -66.18 -42.37 88.99 Favored 'General case' 0 CA--C 1.499 -1.001 0 C-N-CA 124.815 1.246 . . . . 25.0 108.631 -178.283 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 747' ' ' GLN . . . . . 0.416 ' HB2' ' H ' ' A' ' 744' ' ' SER . 2.9 mm100 -58.73 -60.42 3.86 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 113.921 -1.49 . . . . 25.0 112.326 177.312 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.02 -26.32 60.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.267 -0.896 . . . . 25.0 111.303 178.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.28 -52.87 51.44 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.274 -0.421 . . . . 25.0 111.291 179.149 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -68.84 -33.28 73.55 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.167 -0.679 . . . . 25.0 109.167 -178.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -60.49 -46.79 88.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.254 0.549 . . . . 25.0 110.614 176.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 13.0 mtp85 -68.32 -40.38 81.66 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 116.472 -0.331 . . . . 25.0 110.32 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.52 -40.32 92.83 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.882 -0.327 . . . . 25.0 111.45 -178.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 45.9 m -65.16 -44.54 88.21 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 117.824 0.284 . . . . 25.0 110.869 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -41.05 96.33 Favored 'General case' 0 C--O 1.21 -0.985 0 N-CA-C 108.917 -0.772 . . . . 25.0 108.917 177.335 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.47 -33.56 73.09 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.783 0.66 . . . . 25.0 112.783 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -66.71 -34.42 77.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.089 0.471 . . . . 25.0 110.238 -178.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -90.93 -35.03 14.96 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 115.986 -0.552 . . . . 25.0 110.122 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 759' ' ' ASP . . . . . 0.455 ' HA ' HD21 ' A' ' 766' ' ' LEU . 50.5 t0 -92.99 70.62 4.6 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-O 122.204 1.002 . . . . 25.0 108.899 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -79.37 -0.77 34.04 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.693 -1.139 . . . . 25.0 110.565 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -90.36 -11.47 40.53 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 107.132 -1.433 . . . . 25.0 107.132 174.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 51.15 35.35 13.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.423 -1.262 . . . . 25.0 113.027 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 90.7 p -74.47 -20.82 59.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.778 -0.646 . . . . 25.0 110.518 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 96.55 0.44 60.91 Favored Glycine 0 C--O 1.243 0.658 0 N-CA-C 110.0 -1.24 . . . . 25.0 110.0 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 3.1 p -145.06 160.63 41.09 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 123.263 0.625 . . . . 25.0 110.963 -176.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 766' ' ' LEU . . . . . 0.472 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 22.5 mt -141.26 175.03 9.97 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 107.187 -1.412 . . . . 25.0 107.187 175.037 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -84.59 -179.41 51.38 Favored Glycine 0 C--O 1.241 0.593 0 N-CA-C 110.043 -1.223 . . . . 25.0 110.043 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.97 -31.43 19.63 Favored 'Trans proline' 0 CA--C 1.528 0.217 0 N-CA-C 115.153 1.174 . . . . 25.0 115.153 -175.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -84.88 -33.63 22.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.506 0.669 . . . . 25.0 109.611 -177.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 58.5 mp0 -63.93 -55.79 20.02 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.571 -0.74 . . . . 25.0 109.781 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 771' ' ' PHE . . . . . 0.472 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.4 OUTLIER -59.89 -31.08 69.47 Favored 'General case' 0 C--O 1.213 -0.835 0 N-CA-C 113.071 0.767 . . . . 25.0 113.071 173.791 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt -65.2 -45.97 82.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 119.033 0.833 . . . . 25.0 109.801 177.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.28 -25.66 62.54 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.176 0.512 . . . . 25.0 110.826 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 52.5 t -61.67 -36.19 80.13 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.624 -0.51 . . . . 25.0 109.624 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 11.9 mt -66.92 -33.03 74.7 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 121.471 0.653 . . . . 25.0 111.588 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 68.8 mt -58.55 -33.53 48.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-O 121.32 0.581 . . . . 25.0 110.046 -177.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 1.2 m -60.35 -23.59 64.38 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 122.97 0.508 . . . . 25.0 112.196 178.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 15.5 mt -93.92 -18.96 21.39 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 116.033 -0.53 . . . . 25.0 111.555 -178.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 118.4 36.76 0.9 Allowed Glycine 0 C--O 1.221 -0.687 0 CA-C-N 116.005 -0.543 . . . . 25.0 114.434 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -103.78 130.1 51.27 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.153 -0.616 . . . . 25.0 109.339 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -84.31 52.21 2.29 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.968 0.89 . . . . 25.0 110.795 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 44.5 mt -126.01 77.08 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 108.209 -1.034 . . . . 25.0 108.209 -176.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -125.11 52.76 0.79 Allowed Glycine 0 C--O 1.224 -0.513 0 CA-C-N 115.844 -0.616 . . . . 25.0 114.004 -176.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 68.59 12.27 8.63 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.781 1.232 . . . . 25.0 111.729 -177.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -67.2 155.8 89.66 Favored Pre-proline 0 C--N 1.32 -0.707 0 N-CA-C 106.556 -1.646 . . . . 25.0 106.556 174.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.61 -20.01 36.11 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 113.359 -3.961 . . . . 25.0 113.142 -177.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -81.63 -37.2 27.91 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 107.864 -1.161 . . . . 25.0 107.864 177.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -64.26 -48.61 72.79 Favored Glycine 0 C--O 1.21 -1.365 0 N-CA-C 109.797 -1.321 . . . . 25.0 109.797 178.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.83 -33.56 70.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 118.387 1.094 . . . . 25.0 112.378 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.48 -36.77 84.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.683 0.278 . . . . 25.0 111.04 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -94.2 -17.37 22.78 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-O 121.899 0.856 . . . . 25.0 111.823 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -73.87 -32.42 63.62 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 107.203 -1.406 . . . . 25.0 107.203 174.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.65 -33.78 71.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.046 -0.524 . . . . 25.0 111.836 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 40.0 ptt85 -81.4 -30.06 33.73 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 108.273 -1.01 . . . . 25.0 108.273 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.448 HG23 ' CE2' ' A' ' 815' ' ' PHE . 40.4 mt -68.75 -51.06 49.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.916 -0.402 . . . . 25.0 109.916 -177.29 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 19.2 ptt? -60.04 -26.02 65.79 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.234 0.457 . . . . 25.0 112.234 -178.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 46.8 m -77.98 -20.33 52.83 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.211 0.448 . . . . 25.0 112.211 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 67.3 mt -93.72 -46.57 13.73 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.59 0 CA-C-O 121.348 0.594 . . . . 25.0 110.354 -176.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.42 ' HB ' HG13 ' A' ' 807' ' ' VAL . 32.8 m -74.83 -12.97 15.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.73 -0.668 . . . . 25.0 112.524 -176.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -150.56 70.69 8.93 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.582 -0.736 . . . . 25.0 111.242 -176.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -74.18 -13.44 23.4 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 117.178 -1.415 . . . . 25.0 112.373 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.38 -5.81 59.27 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.526 -0.307 . . . . 25.0 110.914 -178.246 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 57.49 45.82 18.98 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 123.712 0.805 . . . . 25.0 112.269 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 82.6 mt -70.93 -24.75 62.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.707 -1.133 . . . . 25.0 108.895 176.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.33 18.1 61.24 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.528 -0.76 . . . . 25.0 111.995 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 16.2 m -145.51 159.71 12.7 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 N-CA-C 109.179 -0.674 . . . . 25.0 109.179 -176.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 807' ' ' VAL . . . . . 0.42 HG13 ' HB ' ' A' ' 799' ' ' VAL . 12.0 t -131.33 132.0 63.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.842 -0.617 . . . . 25.0 109.882 -179.241 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 6.7 t -97.47 158.93 15.22 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 109.685 -0.487 . . . . 25.0 109.685 178.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -50.33 -43.53 53.92 Favored 'General case' 0 C--O 1.215 -0.742 0 CA-C-O 121.462 0.649 . . . . 25.0 111.214 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -21.53 60.96 Favored 'General case' 0 C--N 1.318 -0.791 0 O-C-N 121.335 -0.853 . . . . 25.0 110.101 -175.109 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -77.06 -41.12 43.66 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 119.775 -0.77 . . . . 25.0 110.749 -176.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.435 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.0 OUTLIER -67.49 -29.56 69.02 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 119.194 -1.002 . . . . 25.0 110.332 178.103 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 20.2 mm -63.91 -25.9 39.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 121.058 0.456 . . . . 25.0 110.354 177.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -60.33 -47.69 84.95 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.209 -0.596 . . . . 25.0 110.684 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 815' ' ' PHE . . . . . 0.498 ' HA ' HH11 ' A' ' 818' ' ' ARG . 3.9 p90 -81.31 -23.34 37.92 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 119.644 -0.822 . . . . 25.0 112.588 -177.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -56.27 -31.95 64.08 Favored 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 120.861 -0.336 . . . . 25.0 111.697 -174.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 36.1 t -62.47 -25.35 67.94 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.255 0.465 . . . . 25.0 112.255 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 818' ' ' ARG . . . . . 0.498 HH11 ' HA ' ' A' ' 815' ' ' PHE . 79.4 mtt85 -86.14 -38.78 17.36 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 122.471 0.309 . . . . 25.0 110.646 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -77.16 -32.45 56.25 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.426 0.528 . . . . 25.0 112.426 -176.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 6.1 t -71.15 8.76 0.88 Allowed 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.758 0.79 . . . . 25.0 112.479 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -61.58 -24.84 66.94 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.116 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -134.43 161.68 34.34 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 108.412 -0.958 . . . . 25.0 108.412 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 26.5 m -159.13 133.08 7.54 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 109.452 -0.573 . . . . 25.0 109.452 -178.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -70.59 154.11 42.19 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 109.834 -0.432 . . . . 25.0 109.834 177.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 65.9 p -96.62 -25.01 15.74 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 115.001 1.482 . . . . 25.0 115.001 -177.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 826' ' ' ALA . . . . . 0.498 ' O ' HG12 ' A' ' 829' ' ' VAL . . . -89.42 -51.85 5.34 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 114.432 1.271 . . . . 25.0 114.432 -178.336 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -62.36 -22.64 66.27 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 113.882 1.067 . . . . 25.0 113.882 -172.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -49.34 -41.51 39.0 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.62 0.724 . . . . 25.0 112.07 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 829' ' ' VAL . . . . . 0.498 HG12 ' O ' ' A' ' 826' ' ' ALA . 6.7 p -68.44 -35.62 71.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.258 -0.883 . . . . 25.0 110.329 -174.334 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -79.55 -41.31 27.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.835 -0.54 . . . . 25.0 109.676 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.33 -44.16 92.65 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 116.375 -0.375 . . . . 25.0 110.103 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 40.9 m -58.54 -44.11 89.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.945 0.402 . . . . 25.0 110.783 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -63.96 -44.63 92.2 Favored 'General case' 0 C--O 1.204 -1.333 0 N-CA-C 108.799 -0.815 . . . . 25.0 108.799 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -57.87 -31.93 67.19 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.66 0.615 . . . . 25.0 112.66 -176.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 26.0 mt -72.98 -42.54 59.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 N-CA-C 108.678 -0.86 . . . . 25.0 108.678 -177.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.36 -22.85 30.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.439 0.637 . . . . 25.0 112.163 -177.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.464 ' HB2' ' CD1' ' A' ' 843' ' ' ILE . . . -84.92 -13.89 49.39 Favored 'General case' 0 C--O 1.206 -1.2 0 N-CA-C 113.124 0.787 . . . . 25.0 113.124 -178.211 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -47.38 -27.61 4.16 Favored Glycine 0 C--O 1.227 -0.284 0 N-CA-C 116.719 1.448 . . . . 25.0 116.719 -175.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -73.63 -14.34 61.16 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 117.795 0.798 . . . . 25.0 112.68 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -137.48 -172.71 3.29 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 123.162 0.585 . . . . 25.0 109.436 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -109.65 14.46 23.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 121.813 -0.554 . . . . 25.0 111.245 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -159.92 178.76 9.41 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.541 0.21 . . . . 25.0 110.779 -176.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 843' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 837' ' ' ALA . 0.4 OUTLIER -133.58 152.08 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 N-CA-C 108.175 -1.046 . . . . 25.0 108.175 -177.191 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 76.4 p -104.52 164.63 11.61 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 107.799 -1.186 . . . . 25.0 107.799 171.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.93 -35.63 69.28 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.173 -1.376 . . . . 25.0 111.378 177.223 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -73.35 -42.3 62.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.55 -0.75 . . . . 25.0 110.919 -179.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -61.05 -46.6 90.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.831 -0.622 . . . . 25.0 112.032 -178.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.0 pp -71.11 -26.44 63.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.755 0.312 . . . . 25.0 111.334 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -67.36 -12.97 61.52 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.7 -0.625 . . . . 25.0 111.221 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -62.91 -31.34 72.39 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 109.507 -0.553 . . . . 25.0 109.507 175.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -90.33 -36.7 14.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.012 -0.54 . . . . 25.0 111.728 -174.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.77 77.58 76.08 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.047 -0.524 . . . . 25.0 110.156 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -59.71 -28.7 87.95 Favored 'Trans proline' 0 CA--C 1.554 1.517 0 N-CA-C 119.132 2.705 . . . . 25.0 119.132 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -77.38 -161.03 0.13 Allowed 'Trans proline' 0 C--N 1.363 1.33 0 C-N-CA 114.246 -3.37 . . . . 25.0 112.68 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -55.35 -16.83 3.88 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.304 1.224 . . . . 25.0 114.304 -178.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -51.77 -40.62 60.64 Favored 'General case' 0 N--CA 1.447 -0.611 0 O-C-N 122.052 -0.405 . . . . 25.0 111.842 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.29 97.74 Favored 'General case' 0 C--O 1.206 -1.202 0 C-N-CA 120.919 -0.312 . . . . 25.0 110.475 178.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -68.6 -38.18 80.39 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.014 0.435 . . . . 25.0 110.597 -176.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -66.51 -31.37 72.05 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 175.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 60.1 m -72.89 -44.47 61.25 Favored 'General case' 0 C--O 1.211 -0.969 0 N-CA-C 109.691 -0.485 . . . . 25.0 109.691 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 17.4 mt -60.5 -38.59 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 N-CA-C 109.823 -0.436 . . . . 25.0 109.823 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -63.92 -26.21 68.49 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.569 0.581 . . . . 25.0 112.569 178.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -105.92 -19.39 13.75 Favored 'General case' 0 C--O 1.212 -0.885 0 N-CA-C 113.554 0.946 . . . . 25.0 113.554 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 10.7 ttm -66.35 157.47 31.71 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 108.354 -0.98 . . . . 25.0 108.354 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -84.88 143.02 39.61 Favored Pre-proline 0 C--N 1.314 -0.95 0 N-CA-C 107.638 -1.245 . . . . 25.0 107.638 -176.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -74.69 148.32 36.64 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 CA-C-O 121.584 0.577 . . . . 25.0 112.594 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -111.59 127.33 55.7 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.422 -0.808 . . . . 25.0 113.086 -178.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 2.4 m -131.24 54.75 1.89 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.628 0.728 . . . . 25.0 109.582 178.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -100.94 -168.97 28.4 Favored Glycine 0 CA--C 1.521 0.43 0 CA-C-N 115.736 -0.665 . . . . 25.0 112.909 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -70.52 -28.51 21.5 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 CA-C-N 118.785 1.293 . . . . 25.0 114.626 -178.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -95.52 18.62 12.39 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.58 0.705 . . . . 25.0 109.845 -177.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 81.2 p -72.52 148.04 45.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 122.666 1.222 . . . . 25.0 113.731 -172.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 15.6 m -133.21 161.04 66.17 Favored Pre-proline 0 C--N 1.32 -0.688 0 N-CA-C 105.946 -1.872 . . . . 25.0 105.946 -178.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -60.24 91.36 0.09 OUTLIER 'Trans proline' 0 C--N 1.353 0.77 0 N-CA-C 114.949 1.096 . . . . 25.0 114.949 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 115.52 11.59 10.36 Favored Glycine 0 C--O 1.21 -1.403 0 CA-C-N 115.12 -0.946 . . . . 25.0 113.599 177.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -59.16 146.78 37.67 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 123.836 0.855 . . . . 25.0 109.385 177.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 11.6 mt -133.24 138.31 46.43 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.847 -0.615 . . . . 25.0 109.67 -175.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -90.0 111.07 22.04 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 105.344 -2.095 . . . . 25.0 105.344 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -80.38 -34.64 36.23 Favored 'General case' 0 CA--C 1.505 -0.761 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 -177.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 5.1 mmm -63.51 -29.04 70.37 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.439 0.637 . . . . 25.0 110.01 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 3.3 t -88.03 -12.99 42.75 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.653 0.982 . . . . 25.0 113.653 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -56.26 -43.91 79.19 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.268 0.84 . . . . 25.0 113.268 -177.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 50.8 m -64.36 -8.1 11.99 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 114.122 1.156 . . . . 25.0 114.122 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 32.5 p -109.25 -17.43 13.83 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.214 0.82 . . . . 25.0 113.214 178.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -158.03 144.33 17.45 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.782 0.66 . . . . 25.0 112.782 -177.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 4.3 pp -142.94 154.85 44.48 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 105.746 -1.946 . . . . 25.0 105.746 177.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -128.38 -10.11 5.18 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 115.361 1.615 . . . . 25.0 115.361 -177.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -88.5 13.97 60.88 Favored Glycine 0 CA--C 1.511 -0.183 0 N-CA-C 115.074 0.79 . . . . 25.0 115.074 -176.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 56.5 tt0 -157.17 131.52 8.49 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.998 -1.482 . . . . 25.0 106.998 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 89.8 p -160.82 172.58 16.74 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.968 -0.753 . . . . 25.0 108.968 -178.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -79.82 -30.06 40.38 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.698 0.761 . . . . 25.0 109.51 177.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 C--O 1.255 1.346 0 N-CA-C 105.307 -2.109 . . . . 25.0 105.307 -179.409 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.172 0 CA-C-O 119.262 -0.744 . . . . 25.0 112.514 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 21.7 m -103.78 0.21 30.12 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.342 1.071 . . . . 25.0 111.727 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 12.1 t -79.96 -13.91 58.99 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 121.293 -0.879 . . . . 25.0 112.333 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.56 135.01 29.06 Favored 'Isoleucine or valine' 0 C--O 1.246 0.909 0 N-CA-C 108.817 -0.809 . . . . 25.0 108.817 176.33 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.67 162.8 18.62 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 108.933 -0.765 . . . . 25.0 108.933 175.099 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -58.0 -30.43 66.06 Favored 'General case' 0 C--O 1.208 -1.117 0 CA-C-N 118.862 0.755 . . . . 25.0 109.696 175.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -73.65 -40.13 63.97 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 123.544 0.738 . . . . 25.0 110.342 177.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -61.39 -56.67 17.71 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.593 -0.443 . . . . 25.0 110.508 176.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 2.6 ptm -58.28 -26.17 62.67 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 119.98 -0.688 . . . . 25.0 111.073 179.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.62 -50.46 64.97 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 123.413 0.446 . . . . 25.0 111.173 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -72.44 -31.74 65.72 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 109.309 -0.626 . . . . 25.0 109.309 -178.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -62.15 -50.71 70.78 Favored 'General case' 0 C--O 1.243 0.735 0 N-CA-C 109.928 -0.397 . . . . 25.0 109.928 175.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -65.57 -40.99 93.38 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 120.373 -0.531 . . . . 25.0 111.645 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -70.51 -37.4 74.15 Favored 'General case' 0 C--O 1.21 -0.982 0 O-C-N 123.332 0.395 . . . . 25.0 111.117 -176.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 43.0 m -68.96 -42.36 76.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 119.038 0.835 . . . . 25.0 110.56 178.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.45 -44.55 84.84 Favored 'General case' 0 C--O 1.209 -1.038 0 N-CA-C 108.276 -1.009 . . . . 25.0 108.276 176.221 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.03 -31.23 65.98 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 115.584 1.698 . . . . 25.0 115.584 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -69.13 -30.77 69.11 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.186 -1.042 . . . . 25.0 108.186 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -91.31 -34.68 14.82 Favored 'General case' 0 CA--C 1.559 1.32 0 N-CA-C 108.373 -0.973 . . . . 25.0 108.373 -178.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 759' ' ' ASP . . . . . 0.445 ' HA ' HD21 ' A' ' 766' ' ' LEU . 48.3 t0 -92.93 71.88 4.73 Favored 'General case' 0 C--O 1.207 -1.156 0 C-N-CA 123.405 0.682 . . . . 25.0 109.494 -179.271 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -80.8 -2.09 45.73 Favored 'General case' 0 CA--C 1.496 -1.126 0 CA-C-N 114.358 -1.292 . . . . 25.0 111.533 -178.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -92.69 -16.19 25.81 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 108.426 -0.954 . . . . 25.0 108.426 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 61.17 34.66 18.81 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 113.996 -1.457 . . . . 25.0 112.691 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 69.8 m -74.38 -19.76 60.32 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.58 -0.282 . . . . 25.0 110.887 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 92.77 -0.79 70.51 Favored Glycine 0 C--O 1.243 0.678 0 N-CA-C 109.05 -1.62 . . . . 25.0 109.05 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 17.9 p -146.53 157.49 43.75 Favored 'General case' 0 N--CA 1.438 -1.071 0 O-C-N 124.444 0.732 . . . . 25.0 110.638 -174.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 766' ' ' LEU . . . . . 0.445 HD21 ' HA ' ' A' ' 759' ' ' ASP . 17.0 mt -136.92 170.22 16.46 Favored 'General case' 0 CA--C 1.492 -1.274 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 177.498 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.63 175.53 54.99 Favored Glycine 0 C--O 1.243 0.693 0 N-CA-C 110.463 -1.055 . . . . 25.0 110.463 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -70.12 -26.82 25.47 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 121.222 1.281 . . . . 25.0 112.274 -176.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -82.42 -38.99 23.26 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.349 -0.611 . . . . 25.0 109.349 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -67.65 -48.77 65.74 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 116.475 -0.329 . . . . 25.0 110.464 -177.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 771' ' ' PHE . . . . . 0.402 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -64.09 -30.53 71.6 Favored 'General case' 0 C--O 1.202 -1.43 0 C-N-CA 119.333 -0.947 . . . . 25.0 111.65 173.71 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -59.8 -46.04 90.45 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 119.363 0.983 . . . . 25.0 109.004 177.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -76.5 -23.17 53.75 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.49 -0.777 . . . . 25.0 111.987 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 42.4 t -61.89 -39.56 92.36 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 109.487 -0.56 . . . . 25.0 109.487 177.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 18.2 mt -63.76 -29.47 70.67 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-O 121.506 0.67 . . . . 25.0 111.982 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 66.3 mt -61.0 -33.21 54.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.365 -0.379 . . . . 25.0 110.11 -176.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 80.5 p -67.88 -17.74 64.58 Favored 'General case' 0 C--O 1.211 -0.942 0 C-N-CA 120.368 -0.533 . . . . 25.0 112.27 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 13.4 mt -91.85 -14.36 29.86 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.642 0.734 . . . . 25.0 109.912 177.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 117.5 23.55 3.72 Favored Glycine 0 C--O 1.226 -0.394 0 N-CA-C 115.019 0.768 . . . . 25.0 115.019 177.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -94.41 137.01 34.06 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.552 -0.969 . . . . 25.0 110.193 -176.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -88.13 46.39 1.38 Allowed 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 121.932 0.872 . . . . 25.0 113.32 -178.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 14.0 mt -110.88 66.29 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-O 122.458 1.123 . . . . 25.0 108.393 -177.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -99.95 42.38 1.98 Allowed Glycine 0 C--N 1.318 -0.418 0 CA-C-N 115.002 -0.999 . . . . 25.0 115.383 -171.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 43.4 t30 63.26 27.03 15.37 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 122.897 1.332 . . . . 25.0 110.475 -177.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -96.15 156.56 36.9 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 106.787 -1.56 . . . . 25.0 106.787 176.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -67.15 -18.42 51.07 Favored 'Trans proline' 0 CA--C 1.51 -0.703 0 C-N-CA 116.908 -1.595 . . . . 25.0 114.906 -177.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -78.31 -40.1 37.76 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 106.694 -1.595 . . . . 25.0 106.694 177.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -67.35 -43.18 88.83 Favored Glycine 0 CA--C 1.5 -0.844 0 N-CA-C 110.741 -0.943 . . . . 25.0 110.741 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -59.74 -32.49 70.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.524 -0.986 . . . . 25.0 111.579 178.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -66.01 -35.6 81.0 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-O 120.795 0.331 . . . . 25.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -90.93 -17.05 27.05 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.921 -0.487 . . . . 25.0 109.976 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -79.38 -34.43 41.96 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 108.944 -0.761 . . . . 25.0 108.944 175.257 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.0 -32.32 69.59 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 122.025 -0.422 . . . . 25.0 112.057 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 4.9 ptt85 -83.58 -28.08 28.79 Favored 'General case' 0 C--O 1.211 -0.938 0 N-CA-C 109.88 -0.415 . . . . 25.0 109.88 177.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 47.5 mt -68.29 -47.93 75.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 O-C-N 122.098 -0.376 . . . . 25.0 110.318 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 12.4 ptt? -60.1 -27.55 67.11 Favored 'General case' 0 C--O 1.208 -1.113 0 O-C-N 121.997 -0.439 . . . . 25.0 111.74 -177.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 52.3 m -78.66 -16.04 57.78 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.438 -0.505 . . . . 25.0 111.735 -178.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 77.6 mt -92.65 -44.64 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.036 0 N-CA-C 109.455 -0.572 . . . . 25.0 109.455 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.457 ' HB ' HG13 ' A' ' 807' ' ' VAL . 22.3 m -82.76 -12.36 12.15 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 O-C-N 123.998 0.811 . . . . 25.0 111.704 -174.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -155.31 66.02 4.65 Favored Pre-proline 0 CA--C 1.557 1.214 0 CA-C-O 122.054 0.931 . . . . 25.0 111.431 -176.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -71.26 -13.96 31.13 Favored 'Trans proline' 0 CA--C 1.542 0.895 0 C-N-CA 115.202 -2.732 . . . . 25.0 112.867 178.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.24 -8.88 59.83 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 123.435 0.459 . . . . 25.0 110.151 -179.472 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 46.4 mmm-85 59.55 41.87 18.35 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 123.683 0.793 . . . . 25.0 111.748 178.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 82.5 mt -67.77 -25.58 65.68 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.067 0.947 . . . . 25.0 109.172 176.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 86.91 18.15 58.47 Favored Glycine 0 N--CA 1.436 -1.335 0 CA-C-N 115.068 -0.969 . . . . 25.0 112.218 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 16.3 m -143.93 154.56 15.71 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.6 0 N-CA-C 107.384 -1.339 . . . . 25.0 107.384 -176.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 807' ' ' VAL . . . . . 0.457 HG13 ' HB ' ' A' ' 799' ' ' VAL . 17.8 t -132.86 133.49 58.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 115.349 -0.842 . . . . 25.0 108.926 -177.428 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.31 158.57 15.39 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 108.177 -1.045 . . . . 25.0 108.177 -178.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -50.57 -43.89 56.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.918 0.866 . . . . 25.0 112.67 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.08 -29.73 70.11 Favored 'General case' 0 C--O 1.211 -0.931 0 CA-C-N 115.857 -0.61 . . . . 25.0 110.934 -178.115 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -72.35 -41.73 66.1 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 119.619 -0.833 . . . . 25.0 112.187 -174.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.441 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 0.6 OUTLIER -66.86 -32.61 73.99 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 118.714 -1.194 . . . . 25.0 110.107 176.269 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 24.2 mm -64.55 -30.48 50.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 108.566 -0.902 . . . . 25.0 108.566 176.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -59.52 -39.98 85.64 Favored 'General case' 0 C--N 1.312 -1.047 0 C-N-CA 120.38 -0.528 . . . . 25.0 110.902 -176.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 815' ' ' PHE . . . . . 0.441 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 2.6 p90 -85.92 -23.99 26.77 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 119.762 -0.775 . . . . 25.0 112.499 176.545 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.16 -34.72 79.06 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 106.507 -1.664 . . . . 25.0 106.507 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 6.6 t -67.71 -22.43 65.26 Favored 'General case' 0 C--O 1.212 -0.893 0 N-CA-C 112.591 0.589 . . . . 25.0 112.591 177.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -84.08 -25.12 30.04 Favored 'General case' 0 C--O 1.211 -0.941 0 N-CA-C 109.192 -0.67 . . . . 25.0 109.192 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -76.81 -35.07 57.86 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 108.358 -0.978 . . . . 25.0 108.358 176.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 40.6 m -75.33 -37.42 60.75 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.124 -0.944 . . . . 25.0 109.597 177.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . 57.62 31.56 20.55 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.671 1.359 . . . . 25.0 114.671 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -76.38 149.49 36.93 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 109.0 -0.741 . . . . 25.0 109.0 179.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 51.1 p -122.18 37.8 4.29 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.703 1.001 . . . . 25.0 113.703 -173.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -60.53 146.73 43.93 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 121.752 0.787 . . . . 25.0 113.069 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 2.9 p -63.89 -24.84 67.89 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.733 -0.604 . . . . 25.0 112.061 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -69.04 -27.27 65.5 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 122.024 -0.422 . . . . 25.0 110.47 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -64.79 -30.14 71.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.679 0.752 . . . . 25.0 111.171 -177.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -57.51 -50.72 72.16 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-O 122.557 1.17 . . . . 25.0 111.792 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 11.0 p -76.79 -26.91 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 N-CA-C 108.131 -1.062 . . . . 25.0 108.131 -177.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 830' ' ' MET . . . . . 0.409 ' SD ' ' HB2' ' A' ' 883' ' ' SER . 0.0 OUTLIER -66.66 -35.54 80.39 Favored 'General case' 0 C--O 1.207 -1.167 0 O-C-N 121.582 -0.699 . . . . 25.0 111.787 179.612 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -57.23 -39.39 75.42 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.973 -0.558 . . . . 25.0 110.597 177.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 97.6 p -64.6 -45.48 86.76 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.518 -0.739 . . . . 25.0 110.703 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -64.51 -41.1 96.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 118.134 0.425 . . . . 25.0 110.378 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -57.8 -32.27 67.38 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-O 121.432 0.634 . . . . 25.0 111.882 -175.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 69.8 mt -65.12 -42.26 93.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 108.763 -0.828 . . . . 25.0 108.763 -178.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.22 -24.68 23.2 Favored 'General case' 0 C--O 1.211 -0.96 0 C-N-CA 120.666 -0.414 . . . . 25.0 111.851 -177.523 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.613 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -89.03 -5.97 57.52 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 112.838 0.681 . . . . 25.0 112.838 -175.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -55.04 -27.87 46.95 Favored Glycine 0 C--N 1.338 0.658 0 N-CA-C 115.612 1.005 . . . . 25.0 115.612 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -71.64 -16.13 62.26 Favored 'General case' 0 C--O 1.211 -0.946 0 O-C-N 121.792 -0.828 . . . . 25.0 111.63 176.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -130.85 -159.84 1.0 Allowed 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 121.053 0.454 . . . . 25.0 110.429 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -125.69 14.42 8.09 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 172.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -154.05 176.84 11.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.471 -0.786 . . . . 25.0 110.163 -178.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 843' ' ' ILE . . . . . 0.613 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.3 OUTLIER -137.38 152.97 28.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.309 -0.997 . . . . 25.0 108.309 -175.569 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 34.6 p -103.47 162.17 13.26 Favored 'General case' 0 C--N 1.314 -0.951 0 O-C-N 121.048 -1.032 . . . . 25.0 111.9 173.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 75.6 mtm -59.81 -29.75 68.44 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 114.556 -1.202 . . . . 25.0 111.099 176.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -79.01 -39.8 33.11 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 122.969 1.366 . . . . 25.0 110.52 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -64.78 -47.05 79.54 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 114.812 -1.086 . . . . 25.0 112.89 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.4 pp -68.48 -17.1 64.11 Favored 'General case' 0 CA--C 1.55 0.97 0 O-C-N 121.25 -0.906 . . . . 25.0 109.572 -178.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.61 -16.62 63.42 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 109.85 -0.426 . . . . 25.0 109.85 177.202 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -75.21 -24.84 57.8 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.2 0.454 . . . . 25.0 110.168 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -82.65 -46.69 12.94 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 115.433 -0.803 . . . . 25.0 110.436 -178.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.55 84.25 56.04 Favored Pre-proline 0 CA--C 1.546 0.801 0 CA-C-N 115.476 -0.784 . . . . 25.0 109.348 -177.129 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -63.22 -23.11 72.73 Favored 'Trans proline' 0 CA--C 1.55 1.288 0 N-CA-C 118.589 2.496 . . . . 25.0 118.589 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -78.23 -168.62 0.63 Allowed 'Trans proline' 0 C--N 1.365 1.422 1 C-N-CA 112.794 -4.337 . . . . 25.0 112.051 176.342 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -50.33 -16.5 0.34 Allowed 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 116.037 1.866 . . . . 25.0 116.037 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -53.31 -38.32 63.07 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 121.921 -0.487 . . . . 25.0 111.426 175.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.88 -38.87 92.7 Favored 'General case' 0 C--O 1.21 -0.978 0 C-N-CA 120.462 -0.495 . . . . 25.0 111.895 174.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -68.1 -39.28 82.86 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.868 0.842 . . . . 25.0 109.086 -177.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -67.47 -30.65 70.42 Favored 'General case' 0 CA--C 1.518 -0.285 0 O-C-N 121.885 -0.51 . . . . 25.0 110.606 175.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 51.8 m -73.24 -45.41 56.14 Favored 'General case' 0 C--O 1.211 -0.937 0 N-CA-C 108.48 -0.933 . . . . 25.0 108.48 178.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 21.6 mt -60.45 -38.5 78.16 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.134 0 CA-C-N 118.605 0.638 . . . . 25.0 110.252 178.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.93 -8.08 20.38 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 114.053 1.131 . . . . 25.0 114.053 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -121.53 -37.12 2.94 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.994 -0.441 . . . . 25.0 111.796 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 864' ' ' MET . . . . . 0.455 ' HG3' ' HB2' ' A' ' 882' ' ' PHE . 41.7 ttm -61.63 141.34 57.87 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 122.027 0.918 . . . . 25.0 113.031 -175.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -71.07 141.68 86.77 Favored Pre-proline 0 C--N 1.317 -0.832 0 CA-C-N 115.227 -0.897 . . . . 25.0 112.037 -172.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -73.46 151.79 48.2 Favored 'Trans proline' 0 CA--C 1.513 -0.544 0 CA-C-O 121.87 0.696 . . . . 25.0 112.836 176.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -109.45 142.3 40.65 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.586 -0.734 . . . . 25.0 111.303 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 9.9 t -141.88 135.0 29.06 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 103.276 -2.861 . . . . 25.0 103.276 173.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 173.09 -174.24 45.86 Favored Glycine 0 C--N 1.34 0.769 0 C-N-CA 119.851 -1.166 . . . . 25.0 110.549 -176.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -67.94 -31.64 30.53 Favored 'Trans proline' 0 C--N 1.347 0.492 0 CA-C-N 119.276 1.538 . . . . 25.0 114.803 -178.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -98.53 20.17 13.27 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 122.287 1.042 . . . . 25.0 109.339 -176.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 53.8 p -76.42 156.31 33.25 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 123.718 1.723 . . . . 25.0 114.602 -174.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 3.9 m -138.49 161.19 60.25 Favored Pre-proline 0 C--N 1.308 -1.214 0 N-CA-C 103.587 -2.745 . . . . 25.0 103.587 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -71.7 12.24 0.57 Allowed 'Trans proline' 0 C--N 1.369 1.617 0 N-CA-C 114.975 1.106 . . . . 25.0 114.975 -176.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -138.65 36.52 1.89 Allowed Glycine 0 C--O 1.218 -0.861 0 N-CA-C 109.815 -1.314 . . . . 25.0 109.815 174.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -95.04 139.82 30.86 Favored 'General case' 0 C--O 1.259 1.574 0 C-N-CA 123.09 0.556 . . . . 25.0 109.749 -178.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 57.5 mt -134.95 140.53 45.8 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 107.382 -1.34 . . . . 25.0 107.382 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -89.7 101.21 13.9 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 106.531 -1.655 . . . . 25.0 106.531 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -69.63 -38.05 77.03 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-N 115.158 -0.928 . . . . 25.0 109.291 -177.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 1.1 mmt -62.54 -26.95 68.83 Favored 'General case' 0 C--N 1.316 -0.853 0 O-C-N 121.281 -0.887 . . . . 25.0 109.26 -178.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 8.9 t -79.51 -28.71 41.39 Favored 'General case' 0 C--N 1.346 0.418 0 N-CA-C 113.899 1.074 . . . . 25.0 113.899 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 882' ' ' PHE . . . . . 0.455 ' HB2' ' HG3' ' A' ' 864' ' ' MET . 14.8 t80 -60.08 -36.56 77.65 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 113.661 0.986 . . . . 25.0 113.661 -177.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 883' ' ' SER . . . . . 0.409 ' HB2' ' SD ' ' A' ' 830' ' ' MET . 22.3 t -58.86 -30.2 67.54 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.795 -0.762 . . . . 25.0 112.165 176.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 33.9 p -99.54 -18.23 17.49 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 121.415 -0.803 . . . . 25.0 113.138 -176.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -154.52 137.37 15.36 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 112.829 0.677 . . . . 25.0 112.829 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -142.05 152.22 43.14 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 104.163 -2.532 . . . . 25.0 104.163 176.281 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -121.41 -8.11 9.17 Favored 'General case' 0 C--O 1.196 -1.741 0 O-C-N 123.269 0.356 . . . . 25.0 111.024 -175.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -80.74 98.9 1.84 Allowed Glycine 0 CA--C 1.505 -0.537 0 N-CA-C 108.616 -1.794 . . . . 25.0 108.616 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 49.5 mp0 -52.78 151.25 4.6 Favored 'General case' 0 C--O 1.21 -0.986 0 CA-C-N 113.402 -1.399 . . . . 25.0 112.755 178.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 47.8 m -65.65 138.73 58.19 Favored 'General case' 0 C--O 1.242 0.691 0 N-CA-C 113.944 1.09 . . . . 25.0 113.944 -174.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -76.78 -17.6 58.94 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.261 0.553 . . . . 25.0 110.805 -178.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 5.1 tt . . . . . 0 C--O 1.248 1.002 0 N-CA-C 105.845 -1.909 . . . . 25.0 105.845 -179.858 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.907 0 CA-C-O 119.343 -0.698 . . . . 25.0 111.82 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 52.6 p -154.03 -177.96 6.76 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 105.989 -1.856 . . . . 25.0 105.989 178.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 75.2 p -133.83 150.29 51.4 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 106.718 -1.586 . . . . 25.0 106.718 177.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 1.4 mt -64.49 132.36 30.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.663 0.744 . . . . 25.0 111.19 -178.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 31.4 m -85.77 167.78 14.92 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.399 -1.334 . . . . 25.0 107.399 175.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -61.6 -36.85 81.86 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 120.844 -1.16 . . . . 25.0 110.692 178.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -72.21 -22.11 61.31 Favored 'General case' 0 C--O 1.217 -0.651 0 C-N-CA 122.543 0.337 . . . . 25.0 110.583 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -74.25 -56.73 4.55 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 109.477 -0.564 . . . . 25.0 109.477 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 19.4 ptp -57.72 -25.11 59.92 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 119.703 -0.799 . . . . 25.0 110.917 178.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.57 -54.21 43.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.873 -0.603 . . . . 25.0 109.995 178.326 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -72.55 -33.59 66.93 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.856 -0.424 . . . . 25.0 109.856 -177.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -60.34 -43.11 96.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.056 0.455 . . . . 25.0 110.567 176.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 2.4 mtp85 -70.87 -41.85 70.84 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.611 -0.515 . . . . 25.0 109.611 178.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.14 93.51 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 113.234 0.828 . . . . 25.0 113.234 -178.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 10.3 t -68.56 -41.88 79.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 118.316 0.507 . . . . 25.0 109.916 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -40.57 94.61 Favored 'General case' 0 C--O 1.206 -1.209 0 N-CA-C 108.032 -1.099 . . . . 25.0 108.032 177.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.47 -29.21 65.7 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.75 1.018 . . . . 25.0 113.75 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -71.52 -35.31 70.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.237 0.541 . . . . 25.0 110.307 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -90.68 -37.53 13.68 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 115.949 -0.568 . . . . 25.0 109.982 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -91.67 70.49 5.77 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -74.19 -5.87 44.45 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.925 -1.034 . . . . 25.0 110.742 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -88.63 -14.21 38.01 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.425 -0.954 . . . . 25.0 108.425 177.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 41.1 m80 54.03 36.89 25.67 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 114.458 -1.247 . . . . 25.0 113.03 -179.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 89.9 p -72.62 -21.77 61.06 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.74 -0.663 . . . . 25.0 109.91 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 97.9 -1.8 59.74 Favored Glycine 0 C--O 1.244 0.77 0 N-CA-C 111.204 -0.758 . . . . 25.0 111.204 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 3.9 p -146.43 161.9 39.41 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 123.216 0.607 . . . . 25.0 110.779 -176.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 766' ' ' LEU . . . . . 0.47 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 20.0 mt -143.29 173.41 11.62 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.841 -0.8 . . . . 25.0 108.841 176.595 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -78.49 175.07 54.99 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.897 -0.881 . . . . 25.0 110.897 -179.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -65.02 -34.85 45.65 Favored 'Trans proline' 0 C--O 1.215 -0.634 0 C-N-CA 121.683 1.589 . . . . 25.0 113.52 -177.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -81.87 -35.5 29.22 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 121.044 -0.262 . . . . 25.0 111.113 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 770' ' ' GLU . . . . . 0.4 ' HB2' ' HB3' ' A' ' 766' ' ' LEU . 74.7 mm-40 -64.26 -51.46 63.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.08 0.467 . . . . 25.0 110.041 -178.63 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 771' ' ' PHE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.2 OUTLIER -63.82 -25.4 68.16 Favored 'General case' 0 C--O 1.215 -0.763 0 O-C-N 121.536 -0.728 . . . . 25.0 112.778 174.599 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -70.66 -42.3 70.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 118.377 0.535 . . . . 25.0 110.172 177.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -73.06 -23.75 60.6 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.919 0.866 . . . . 25.0 110.571 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 14.0 t -64.74 -31.04 72.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.524 -0.762 . . . . 25.0 109.322 175.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 775' ' ' LEU . . . . . 0.431 ' HB3' ' CG ' ' A' ' 780' ' ' TYR . 14.7 mt -72.3 -33.84 67.71 Favored 'General case' 0 CA--C 1.51 -0.593 0 O-C-N 121.906 -0.496 . . . . 25.0 110.404 177.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.5 mt -58.31 -34.87 51.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.34 -0.615 . . . . 25.0 109.34 -178.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 49.8 m -62.92 -18.11 62.67 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 19.2 mt -94.61 -24.19 17.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.137 0.494 . . . . 25.0 109.946 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 126.17 26.66 1.19 Allowed Glycine 0 C--O 1.224 -0.525 0 N-CA-C 115.023 0.769 . . . . 25.0 115.023 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 780' ' ' TYR . . . . . 0.431 ' CG ' ' HB3' ' A' ' 775' ' ' LEU . 10.4 m-85 -94.44 135.13 36.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 117.93 0.865 . . . . 25.0 108.751 -178.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -88.07 48.95 1.71 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 122.277 1.037 . . . . 25.0 110.557 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 41.5 mt -119.17 79.88 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 115.398 -0.819 . . . . 25.0 109.565 -175.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -120.32 45.32 1.25 Allowed Glycine 0 C--O 1.226 -0.358 0 CA-C-N 115.51 -0.768 . . . . 25.0 112.896 -176.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 68.99 16.6 8.73 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.718 1.207 . . . . 25.0 111.515 -178.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -68.54 161.18 72.3 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 107.421 -1.325 . . . . 25.0 107.421 174.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -67.55 -24.93 41.49 Favored 'Trans proline' 0 C--N 1.35 0.644 1 C-N-CA 113.016 -4.189 . . . . 25.0 112.753 -178.539 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -76.97 -41.2 44.02 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 108.129 -1.063 . . . . 25.0 108.129 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -61.74 -47.36 90.81 Favored Glycine 0 C--O 1.211 -1.298 0 N-CA-C 110.135 -1.186 . . . . 25.0 110.135 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.88 -29.01 70.24 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 120.987 -1.302 . . . . 25.0 112.608 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -65.23 -44.19 89.02 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.558 -0.534 . . . . 25.0 109.558 178.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -85.49 -19.06 31.79 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-O 122.152 0.977 . . . . 25.0 109.947 -175.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -77.87 -29.23 50.23 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 175.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -62.12 -34.97 77.33 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 120.896 0.379 . . . . 25.0 110.91 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.38 -32.45 48.89 Favored 'General case' 0 C--O 1.215 -0.745 0 N-CA-C 107.758 -1.201 . . . . 25.0 107.758 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 42.8 mt -66.75 -50.72 63.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.866 -0.42 . . . . 25.0 109.866 -176.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 20.1 ptt? -60.68 -26.14 66.89 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-O 120.865 0.364 . . . . 25.0 111.621 -178.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 44.1 m -78.87 -19.01 52.97 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.484 0.55 . . . . 25.0 112.484 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 67.3 mt -96.38 -45.79 12.97 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.634 0 CA-C-O 121.181 0.515 . . . . 25.0 110.734 -177.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.408 ' HB ' HG13 ' A' ' 807' ' ' VAL . 28.5 m -76.6 -14.67 14.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 120.948 0.404 . . . . 25.0 111.769 -177.074 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -150.95 68.89 8.3 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.455 -0.793 . . . . 25.0 111.882 -176.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -72.55 -14.52 27.6 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 118.013 -0.858 . . . . 25.0 112.064 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -86.66 -6.03 58.96 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 116.487 -0.324 . . . . 25.0 111.232 -178.24 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 57.98 46.12 17.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.765 0.793 . . . . 25.0 111.618 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 85.8 mt -72.14 -23.09 61.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.471 -1.241 . . . . 25.0 109.093 176.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.01 19.06 59.92 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.656 -0.702 . . . . 25.0 111.62 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 19.9 m -144.22 156.57 15.36 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 CA-C-O 121.179 0.514 . . . . 25.0 110.166 -176.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 807' ' ' VAL . . . . . 0.408 HG13 ' HB ' ' A' ' 799' ' ' VAL . 11.9 t -130.76 131.82 64.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.17 -0.678 . . . . 25.0 109.17 179.101 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 9.0 t -99.01 160.06 14.52 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.057 -0.349 . . . . 25.0 110.057 178.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -49.91 -44.39 50.16 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-O 121.502 0.667 . . . . 25.0 111.034 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.38 -20.85 60.65 Favored 'General case' 0 C--N 1.315 -0.899 0 O-C-N 121.48 -0.762 . . . . 25.0 111.0 -175.024 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -76.52 -40.35 50.29 Favored 'General case' 0 C--O 1.216 -0.679 0 C-N-CA 119.997 -0.681 . . . . 25.0 110.678 -177.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.441 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 0.8 OUTLIER -69.5 -30.54 68.43 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 119.102 -1.039 . . . . 25.0 109.787 178.48 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 20.9 mm -64.13 -26.96 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 121.355 0.597 . . . . 25.0 110.282 176.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -63.19 -43.44 98.17 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 121.566 -0.709 . . . . 25.0 109.806 -179.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 815' ' ' PHE . . . . . 0.441 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.1 p90 -82.16 -23.59 35.47 Favored 'General case' 0 C--O 1.218 -0.577 0 C-N-CA 119.598 -0.841 . . . . 25.0 112.256 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.06 -32.89 74.37 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.823 -1.177 . . . . 25.0 107.823 -178.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 25.5 t -65.35 -28.8 69.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.65 0.738 . . . . 25.0 110.857 178.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -85.97 -32.73 21.38 Favored 'General case' 0 C--O 1.214 -0.771 0 C-N-CA 122.92 0.488 . . . . 25.0 111.167 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -73.78 -34.41 64.66 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-O 121.054 0.454 . . . . 25.0 112.133 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 14.1 t -73.23 -11.78 60.63 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.921 -1.112 . . . . 25.0 109.083 176.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -88.72 -48.94 7.16 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.338 0.496 . . . . 25.0 112.338 -177.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -159.48 169.8 23.11 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.733 0.646 . . . . 25.0 109.581 -176.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 39.4 m -125.07 124.69 42.45 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 109.046 -0.724 . . . . 25.0 109.046 178.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -69.02 115.85 8.79 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.706 0.765 . . . . 25.0 112.127 -178.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 74.1 p -70.33 -22.38 62.82 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.845 0.683 . . . . 25.0 112.845 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -71.8 -38.42 70.24 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.261 -0.644 . . . . 25.0 109.261 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -63.54 -36.77 84.87 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.389 -0.368 . . . . 25.0 110.342 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -60.04 -50.63 72.98 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.669 0.747 . . . . 25.0 112.052 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 11.3 p -71.58 -30.85 40.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.108 -0.496 . . . . 25.0 109.684 -177.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -39.33 86.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.671 -0.643 . . . . 25.0 110.435 178.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.48 -36.44 78.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.175 -0.466 . . . . 25.0 110.092 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 6.1 t -65.76 -42.67 90.6 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.041 0.386 . . . . 25.0 112.041 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -66.83 -30.28 70.42 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 120.993 -1.067 . . . . 25.0 110.295 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -63.45 -20.59 65.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.957 -0.565 . . . . 25.0 111.53 -179.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 71.2 mt -73.74 -49.03 37.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 108.544 -0.91 . . . . 25.0 108.544 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.93 -27.83 26.29 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.041 -0.663 . . . . 25.0 111.168 -172.478 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.867 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -94.76 8.09 43.7 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 112.373 0.508 . . . . 25.0 112.373 -178.337 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -66.29 -22.71 71.24 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 107.718 -2.153 . . . . 25.0 107.718 172.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -64.24 -28.61 69.85 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.611 0.244 . . . . 25.0 110.877 175.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -129.83 -150.91 0.45 Allowed 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 109.098 -0.705 . . . . 25.0 109.098 -178.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -130.11 15.02 5.71 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 109.274 -0.639 . . . . 25.0 109.274 173.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 842' ' ' TYR . . . . . 0.412 ' HB3' ' CE1' ' A' ' 867' ' ' TYR . 9.2 p90 -158.58 178.76 9.78 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.409 -1.33 . . . . 25.0 107.409 -177.01 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 843' ' ' ILE . . . . . 0.867 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.4 OUTLIER -134.74 153.38 34.83 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.817 0 N-CA-C 108.815 -0.809 . . . . 25.0 108.815 -177.91 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 76.4 p -104.91 162.17 13.57 Favored 'General case' 0 CA--C 1.494 -1.176 0 N-CA-C 108.097 -1.075 . . . . 25.0 108.097 175.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 72.9 mtm -59.1 -33.71 71.16 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.003 -0.999 . . . . 25.0 110.082 176.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -73.47 -41.08 63.6 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.786 -0.643 . . . . 25.0 110.457 -178.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -67.41 -48.02 68.55 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.787 -0.642 . . . . 25.0 111.234 -177.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.6 pp -64.33 -26.19 68.37 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.89 -0.724 . . . . 25.0 110.607 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -71.79 -11.48 60.83 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.714 -0.616 . . . . 25.0 112.251 178.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -68.79 -30.0 68.48 Favored 'General case' 0 C--O 1.22 -0.485 0 O-C-N 121.318 -0.864 . . . . 25.0 108.867 176.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -83.96 -39.49 19.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.595 0.712 . . . . 25.0 110.84 -175.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.52 80.14 72.49 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.545 -0.752 . . . . 25.0 109.5 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -61.08 -27.66 84.67 Favored 'Trans proline' 0 CA--C 1.559 1.729 0 N-CA-C 119.214 2.736 . . . . 25.0 119.214 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -78.72 -159.74 0.11 Allowed 'Trans proline' 0 C--N 1.364 1.354 0 C-N-CA 113.962 -3.559 . . . . 25.0 112.84 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.81 -20.34 2.15 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 114.468 1.284 . . . . 25.0 114.468 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -53.55 -39.41 64.71 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.471 0.545 . . . . 25.0 112.471 176.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.96 -38.76 92.04 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-O 120.899 0.381 . . . . 25.0 110.824 178.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -67.68 -37.8 82.84 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.069 0.461 . . . . 25.0 109.839 -177.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -66.94 -31.71 72.47 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.353 -0.61 . . . . 25.0 109.353 175.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 63.2 m -71.43 -43.04 67.46 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 110.056 -0.35 . . . . 25.0 110.056 178.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 24.7 mt -62.59 -38.14 80.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 N-CA-C 109.537 -0.542 . . . . 25.0 109.537 179.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -66.41 -9.41 33.5 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.902 -0.59 . . . . 25.0 112.582 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -116.57 -36.58 3.91 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.116 0.784 . . . . 25.0 113.116 -179.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.07 146.99 45.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.685 0.755 . . . . 25.0 112.696 -175.077 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -73.32 145.23 85.21 Favored Pre-proline 0 N--CA 1.442 -0.837 0 CA-C-N 115.233 -0.894 . . . . 25.0 109.182 -176.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -76.4 149.8 31.6 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 CA-C-O 121.534 0.556 . . . . 25.0 113.018 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 867' ' ' TYR . . . . . 0.412 ' CE1' ' HB3' ' A' ' 842' ' ' TYR . 62.9 t80 -117.27 133.02 56.48 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.835 -0.62 . . . . 25.0 112.211 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 6.1 t -140.32 38.81 1.9 Allowed 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 107.716 -1.216 . . . . 25.0 107.716 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -84.76 -164.78 38.79 Favored Glycine 0 CA--C 1.521 0.439 0 CA-C-N 115.165 -0.925 . . . . 25.0 114.486 -176.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -69.62 -25.24 29.43 Favored 'Trans proline' 0 C--N 1.345 0.369 0 N-CA-C 115.492 1.305 . . . . 25.0 115.492 -176.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -108.6 37.63 2.47 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 107.706 -1.22 . . . . 25.0 107.706 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 79.0 p -81.79 150.4 27.91 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 114.466 1.284 . . . . 25.0 114.466 -176.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 9.7 m -135.87 163.85 47.48 Favored Pre-proline 0 C--N 1.318 -0.766 0 N-CA-C 103.796 -2.668 . . . . 25.0 103.796 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -67.92 -7.61 20.17 Favored 'Trans proline' 0 CA--C 1.537 0.629 0 N-CA-C 115.421 1.277 . . . . 25.0 115.421 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -117.11 33.19 5.14 Favored Glycine 0 C--O 1.228 -0.254 0 N-CA-C 111.589 -0.604 . . . . 25.0 111.589 177.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -92.37 139.81 30.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.773 0.796 . . . . 25.0 112.159 -176.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 51.0 mt -136.16 140.73 43.85 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 107.914 -1.143 . . . . 25.0 107.914 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -90.74 106.79 18.75 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 107.255 -1.387 . . . . 25.0 107.255 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -74.97 -38.12 61.76 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 108.303 -0.999 . . . . 25.0 108.303 -177.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 3.8 ttp -64.63 -21.76 66.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.346 0.593 . . . . 25.0 110.173 -176.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 4.9 t -92.26 -9.7 41.17 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.853 0.686 . . . . 25.0 112.853 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -62.73 -40.48 97.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.837 -0.539 . . . . 25.0 112.373 -177.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 46.3 m -61.66 -15.49 40.31 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.326 0.861 . . . . 25.0 113.326 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 71.6 p -108.79 -15.18 14.45 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.694 0.627 . . . . 25.0 112.694 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -158.81 129.18 5.95 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.05 0.389 . . . . 25.0 112.05 -177.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -140.42 145.06 36.53 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 105.024 -2.213 . . . . 25.0 105.024 175.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -116.05 -6.42 11.95 Favored 'General case' 0 C--O 1.212 -0.894 0 N-CA-C 112.196 0.443 . . . . 25.0 112.196 -178.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -101.26 25.07 29.56 Favored Glycine 0 N--CA 1.453 -0.19 0 CA-C-O 119.779 -0.456 . . . . 25.0 112.749 -178.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -63.03 141.67 58.68 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.29 -1.374 . . . . 25.0 107.29 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 25.1 m -83.02 -20.21 35.47 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.699 0.629 . . . . 25.0 112.699 -175.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -111.74 51.05 0.81 Allowed 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.537 -1.283 . . . . 25.0 107.537 -177.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 49.4 tp . . . . . 0 C--O 1.245 0.821 0 CA-C-N 114.618 -1.174 . . . . 25.0 111.416 -177.065 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.001 0 CA-C-O 119.299 -0.723 . . . . 25.0 111.616 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 22.6 t -56.27 126.58 26.84 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 117.85 0.825 . . . . 25.0 111.759 -176.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 38.5 m -146.57 123.34 11.24 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.17 0.804 . . . . 25.0 113.17 -177.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 743' ' ' ILE . . . . . 0.404 HG21 ' HB3' ' A' ' 748' ' ' MET . 0.5 OUTLIER -74.33 142.55 14.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 123.152 0.581 . . . . 25.0 110.578 175.262 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 19.9 m -81.04 165.53 21.58 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.533 -0.543 . . . . 25.0 109.533 175.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -63.96 -36.55 84.34 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 120.92 -1.113 . . . . 25.0 110.102 178.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.67 -20.06 60.02 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 116.319 -0.401 . . . . 25.0 111.36 178.236 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -74.05 -58.08 3.54 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 109.441 -0.577 . . . . 25.0 109.441 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 748' ' ' MET . . . . . 0.404 ' HB3' HG21 ' A' ' 743' ' ' ILE . 22.6 ptp -56.75 -26.42 57.27 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.961 -0.696 . . . . 25.0 111.471 177.726 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -56.09 23.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.962 -0.563 . . . . 25.0 110.148 179.456 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -72.58 -32.16 65.8 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.351 -0.386 . . . . 25.0 110.545 -177.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -60.15 -49.42 77.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.02 0.438 . . . . 25.0 109.999 175.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -65.08 -42.19 94.34 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 109.733 -0.469 . . . . 25.0 109.733 -179.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.39 -38.93 91.48 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.29 0.478 . . . . 25.0 112.29 -178.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 45.9 m -66.53 -45.46 79.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 118.194 0.452 . . . . 25.0 110.814 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -39.94 91.33 Favored 'General case' 0 C--O 1.208 -1.108 0 N-CA-C 108.69 -0.856 . . . . 25.0 108.69 177.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.71 -31.02 67.72 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 179.5 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -68.58 -35.65 77.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.144 -0.347 . . . . 25.0 110.259 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -88.07 -38.6 15.29 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.985 -0.552 . . . . 25.0 109.857 178.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 759' ' ' ASP . . . . . 0.468 ' HA ' HD21 ' A' ' 766' ' ' LEU . 57.1 t0 -88.3 68.84 9.04 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 122.512 1.149 . . . . 25.0 108.402 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -75.61 -2.41 29.13 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.546 -1.206 . . . . 25.0 110.744 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -97.89 -0.46 44.94 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 178.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 19.8 p80 40.28 40.77 0.88 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.238 1.415 . . . . 25.0 114.24 -177.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 45.4 t -71.36 -23.02 61.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.818 -0.628 . . . . 25.0 110.552 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 92.58 0.61 69.41 Favored Glycine 0 C--O 1.239 0.461 0 N-CA-C 109.838 -1.305 . . . . 25.0 109.838 -177.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -149.95 154.65 38.63 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 123.381 0.672 . . . . 25.0 109.518 -175.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 766' ' ' LEU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 19.7 mt -137.15 174.44 10.61 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.233 -1.025 . . . . 25.0 108.233 177.449 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.92 173.77 54.72 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 110.63 -0.988 . . . . 25.0 110.63 -179.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.69 -33.63 34.5 Favored 'Trans proline' 0 C--O 1.222 -0.287 0 CA-C-N 118.426 1.113 . . . . 25.0 113.06 -177.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -79.18 -35.72 41.4 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.867 0.365 . . . . 25.0 110.718 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -64.33 -55.42 21.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.837 0.351 . . . . 25.0 110.285 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 771' ' ' PHE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -58.9 -31.26 68.46 Favored 'General case' 0 C--O 1.213 -0.827 0 N-CA-C 112.608 0.596 . . . . 25.0 112.608 175.106 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -63.95 -45.34 89.58 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.755 0.707 . . . . 25.0 110.223 177.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -72.11 -24.94 61.56 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.257 0.551 . . . . 25.0 110.602 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 50.6 t -65.29 -28.51 69.38 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.921 -0.4 . . . . 25.0 109.921 176.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 775' ' ' LEU . . . . . 0.411 ' HB3' ' CG ' ' A' ' 780' ' ' TYR . 15.6 mt -70.9 -33.98 71.11 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-O 121.78 0.8 . . . . 25.0 109.966 178.256 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 62.6 mt -58.83 -35.27 55.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.703 -0.48 . . . . 25.0 109.703 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 19.4 t -62.3 -19.83 63.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.355 -0.384 . . . . 25.0 111.996 178.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 20.3 mt -94.67 -21.61 18.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.708 0.289 . . . . 25.0 110.606 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 120.18 34.37 0.96 Allowed Glycine 0 C--O 1.225 -0.449 0 CA-C-N 115.866 -0.607 . . . . 25.0 114.29 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 780' ' ' TYR . . . . . 0.411 ' CG ' ' HB3' ' A' ' 775' ' ' LEU . 10.1 m-85 -101.47 133.19 46.49 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.804 -0.813 . . . . 25.0 108.804 -179.473 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -84.24 50.04 1.78 Allowed 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 121.843 0.83 . . . . 25.0 110.35 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 53.6 mt -124.99 80.63 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 -175.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -128.24 52.64 0.82 Allowed Glycine 0 C--O 1.225 -0.435 0 CA-C-N 115.417 -0.81 . . . . 25.0 113.268 -176.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 67.66 13.96 9.39 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.9 1.28 . . . . 25.0 111.5 -177.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -66.59 153.31 93.61 Favored Pre-proline 0 C--N 1.321 -0.635 0 N-CA-C 105.575 -2.009 . . . . 25.0 105.575 173.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -69.02 -20.2 38.66 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 113.743 -3.705 . . . . 25.0 112.741 -177.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -80.29 -37.3 33.0 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.037 -1.098 . . . . 25.0 108.037 178.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -64.47 -46.08 91.39 Favored Glycine 0 C--O 1.206 -1.652 0 N-CA-C 110.203 -1.159 . . . . 25.0 110.203 178.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -60.34 -35.25 75.21 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 118.054 0.927 . . . . 25.0 111.834 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.71 -36.09 82.72 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.196 -0.298 . . . . 25.0 110.196 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -94.31 -14.15 25.7 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.294 0.569 . . . . 25.0 111.309 -178.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -78.96 -33.28 45.38 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.544 -0.91 . . . . 25.0 108.544 173.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -61.23 -30.84 70.69 Favored 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 111.706 0.262 . . . . 25.0 111.706 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.81 -34.65 45.15 Favored 'General case' 0 C--O 1.208 -1.111 0 CA-C-O 122.053 0.93 . . . . 25.0 109.75 176.504 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 45.9 mt -64.23 -50.68 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 CA-C-N 114.688 -1.142 . . . . 25.0 109.444 -176.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 17.1 ptt? -62.43 -24.49 67.44 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.91 0.386 . . . . 25.0 111.165 -176.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 62.6 m -78.72 -19.42 52.41 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 112.362 0.505 . . . . 25.0 112.362 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 70.1 mt -94.86 -45.22 13.43 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.497 0 CA-C-O 121.337 0.589 . . . . 25.0 110.029 -177.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.44 ' HB ' HG13 ' A' ' 807' ' ' VAL . 27.0 m -76.11 -14.1 14.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.759 -0.655 . . . . 25.0 112.149 -177.197 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -149.71 68.27 8.98 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-O 121.746 0.784 . . . . 25.0 111.444 -177.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -74.31 -13.11 23.13 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 117.222 -1.385 . . . . 25.0 111.533 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.84 -7.63 59.4 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 116.185 -0.461 . . . . 25.0 111.158 -178.168 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 58.87 46.91 13.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.979 0.895 . . . . 25.0 111.861 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 83.1 mt -73.89 -25.17 59.88 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.098 -1.41 . . . . 25.0 108.822 176.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 84.76 18.12 62.24 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.384 -0.825 . . . . 25.0 111.503 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 15.0 m -147.83 160.06 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 108.796 -0.816 . . . . 25.0 108.796 -175.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 807' ' ' VAL . . . . . 0.44 HG13 ' HB ' ' A' ' 799' ' ' VAL . 10.7 t -129.79 131.86 66.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.015 -0.539 . . . . 25.0 110.31 -178.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 8.0 t -97.7 159.48 14.9 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 109.662 -0.496 . . . . 25.0 109.662 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -50.73 -44.37 58.29 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-O 121.603 0.716 . . . . 25.0 111.285 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -21.09 61.42 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.578 -0.701 . . . . 25.0 110.341 -174.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -76.65 -41.71 44.69 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 119.787 -0.765 . . . . 25.0 110.957 -176.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.418 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 0.7 OUTLIER -67.19 -30.35 70.27 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 119.657 -0.817 . . . . 25.0 110.209 178.283 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 22.0 mm -63.42 -26.51 40.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 121.231 0.539 . . . . 25.0 110.522 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -63.0 -46.4 87.83 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 119.119 -1.033 . . . . 25.0 109.78 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 815' ' ' PHE . . . . . 0.418 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.8 p90 -77.89 -23.51 48.73 Favored 'General case' 0 CA--C 1.51 -0.591 0 O-C-N 120.877 -1.139 . . . . 25.0 111.712 -178.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.38 -31.95 73.24 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.561 -1.274 . . . . 25.0 107.561 -178.004 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 40.8 t -65.84 -24.6 66.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.355 -0.384 . . . . 25.0 111.754 178.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 63.2 mmt-85 -85.71 -27.29 25.39 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 122.079 -0.388 . . . . 25.0 110.371 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -79.68 -35.88 38.49 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.099 -0.704 . . . . 25.0 109.099 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 1.3 m -97.39 27.19 4.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 122.664 1.221 . . . . 25.0 109.711 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -57.56 139.95 52.16 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.274 -1.33 . . . . 25.0 112.106 -176.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -153.37 159.26 42.4 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 105.147 -2.168 . . . . 25.0 105.147 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 75.8 p -121.43 -170.61 2.06 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 123.217 0.607 . . . . 25.0 112.144 -172.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -78.67 155.48 29.46 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 66.4 p -108.56 147.29 31.99 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.581 0.705 . . . . 25.0 109.119 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -67.8 -18.34 64.82 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.671 -0.695 . . . . 25.0 112.25 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.67 -31.08 71.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.035 0.445 . . . . 25.0 110.29 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -59.14 -44.08 92.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.279 0.561 . . . . 25.0 111.465 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 7.3 p -86.26 -30.3 6.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.738 -0.664 . . . . 25.0 109.67 -177.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 15.6 ttm -62.7 -36.92 84.49 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.771 -0.581 . . . . 25.0 109.675 176.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -55.55 -37.62 68.24 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.265 -0.425 . . . . 25.0 110.63 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 15.4 m -70.48 -41.96 72.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.065 0.46 . . . . 25.0 111.078 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -63.86 -36.61 84.49 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-O 121.161 0.505 . . . . 25.0 109.711 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -63.99 -19.5 65.21 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.758 0.651 . . . . 25.0 112.758 -178.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 61.7 mt -81.72 -44.53 20.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.215 -0.661 . . . . 25.0 109.215 178.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.22 -33.0 24.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.356 0.598 . . . . 25.0 110.989 -173.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.503 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -108.78 17.54 21.75 Favored 'General case' 0 C--O 1.206 -1.204 0 CA-C-N 115.557 -0.747 . . . . 25.0 112.329 -177.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -66.3 -19.95 68.92 Favored Glycine 0 C--O 1.223 -0.555 0 N-CA-C 107.742 -2.143 . . . . 25.0 107.742 171.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -74.87 -23.84 58.47 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.426 -0.887 . . . . 25.0 111.739 176.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -123.66 -175.6 3.25 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.867 -0.521 . . . . 25.0 110.206 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -106.62 8.76 31.34 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.64 -0.663 . . . . 25.0 109.769 174.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -156.85 178.75 9.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.571 -0.286 . . . . 25.0 110.315 -177.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 843' ' ' ILE . . . . . 0.503 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.4 OUTLIER -136.53 152.12 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 N-CA-C 108.68 -0.859 . . . . 25.0 108.68 -177.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 54.9 p -102.13 160.68 14.3 Favored 'General case' 0 C--N 1.315 -0.912 0 O-C-N 121.365 -0.835 . . . . 25.0 110.125 173.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 66.0 mtm -58.61 -33.67 70.27 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-N 114.78 -1.1 . . . . 25.0 111.137 177.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -74.05 -35.9 64.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.631 0.729 . . . . 25.0 111.319 -178.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -68.65 -49.23 60.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.088 -0.506 . . . . 25.0 111.763 -178.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.26 -27.36 67.89 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.733 -0.605 . . . . 25.0 110.699 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -67.59 -25.7 65.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.423 -0.353 . . . . 25.0 111.455 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -23.44 60.61 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.855 -0.528 . . . . 25.0 110.001 -179.241 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -83.79 -39.91 19.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.516 -0.766 . . . . 25.0 109.785 -176.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.67 80.44 71.93 Favored Pre-proline 0 C--O 1.22 -0.449 0 CA-C-N 115.706 -0.679 . . . . 25.0 109.598 178.703 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.48 -32.37 73.17 Favored 'Trans proline' 0 CA--C 1.552 1.376 0 N-CA-C 119.011 2.658 . . . . 25.0 119.011 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -76.28 -168.43 0.56 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 115.041 -2.839 . . . . 25.0 112.972 178.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -50.61 -16.48 0.38 Allowed 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 115.632 1.716 . . . . 25.0 115.632 -178.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -52.59 -39.79 61.95 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.849 -0.532 . . . . 25.0 110.878 176.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.27 -41.59 96.86 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 120.486 0.184 . . . . 25.0 110.812 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -68.14 -39.75 82.61 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.98 0.419 . . . . 25.0 110.056 -177.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -65.9 -29.68 70.15 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.471 -0.566 . . . . 25.0 109.471 176.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 36.4 m -73.0 -43.9 61.63 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 109.093 -0.706 . . . . 25.0 109.093 178.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 20.9 mt -62.64 -38.89 82.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.581 -0.526 . . . . 25.0 109.581 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.62 -6.64 11.76 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.197 0.814 . . . . 25.0 113.197 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -124.17 -34.03 3.0 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 114.593 1.331 . . . . 25.0 114.593 178.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 38.1 ttm -59.93 149.66 31.1 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.586 0.708 . . . . 25.0 112.747 -174.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -75.34 141.12 73.2 Favored Pre-proline 0 N--CA 1.441 -0.881 0 CA-C-N 115.733 -0.667 . . . . 25.0 109.299 -173.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -74.85 150.8 39.49 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 CA-C-O 121.419 0.508 . . . . 25.0 111.242 178.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -105.53 133.78 49.72 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 112.968 0.729 . . . . 25.0 112.968 -178.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 55.0 m -130.87 110.85 11.59 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 106.249 -1.759 . . . . 25.0 106.249 174.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -169.69 -173.24 37.02 Favored Glycine 0 C--N 1.323 -0.151 0 C-N-CA 120.086 -1.054 . . . . 25.0 112.286 -178.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.13 -27.3 24.87 Favored 'Trans proline' 0 C--O 1.218 -0.506 0 CA-C-N 119.048 1.424 . . . . 25.0 114.67 -176.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -94.59 16.19 16.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.228 0.537 . . . . 25.0 110.18 -178.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 54.7 p -70.96 151.37 44.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.82 1.295 . . . . 25.0 114.202 -172.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 4.9 m -142.1 160.18 56.14 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 102.571 -3.122 . . . . 25.0 102.571 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -60.32 -16.21 39.74 Favored 'Trans proline' 0 C--N 1.35 0.606 0 N-CA-C 115.028 1.126 . . . . 25.0 115.028 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -110.75 31.65 7.16 Favored Glycine 0 C--O 1.226 -0.352 0 C-N-CA 121.713 -0.279 . . . . 25.0 113.082 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -92.74 136.38 33.29 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.151 0.5 . . . . 25.0 111.568 -179.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 47.7 mt -134.36 140.11 46.1 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.66 -1.237 . . . . 25.0 107.66 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -88.54 108.52 19.46 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 107.34 -1.356 . . . . 25.0 107.34 178.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -79.74 -32.54 41.1 Favored 'General case' 0 CA--C 1.491 -1.301 0 CA-C-N 115.446 -0.797 . . . . 25.0 109.428 -177.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -29.73 70.6 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.201 -1.037 . . . . 25.0 108.201 -178.293 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.0 t -86.25 -15.14 41.7 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 114.004 1.113 . . . . 25.0 114.004 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -58.04 -43.29 86.76 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 115.115 1.524 . . . . 25.0 115.115 -174.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 69.8 m -66.05 -17.62 64.81 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.594 0.961 . . . . 25.0 113.594 -178.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 13.8 t -109.3 -6.37 15.54 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 111.871 0.323 . . . . 25.0 111.871 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -153.75 119.72 5.36 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.254 0.55 . . . . 25.0 112.397 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -145.21 147.59 32.6 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 105.467 -2.049 . . . . 25.0 105.467 176.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -109.76 -43.0 4.12 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.567 0.58 . . . . 25.0 112.567 -177.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . 56.4 49.57 68.02 Favored Glycine 0 C--O 1.218 -0.898 0 N-CA-C 117.512 1.765 . . . . 25.0 117.512 177.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -67.96 -18.6 64.79 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.726 1.01 . . . . 25.0 113.726 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 17.9 m -78.08 140.55 39.08 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.425 0.528 . . . . 25.0 112.425 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -75.36 -1.29 23.09 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 114.897 1.443 . . . . 25.0 114.897 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.467 -0.777 . . . . 25.0 111.144 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 740' ' ' GLY . . . . . 0.524 ' N ' ' HG1' ' A' ' 820' ' ' THR . . . . . . . . 0 N--CA 1.48 1.629 0 CA-C-O 119.402 -0.666 . . . . 25.0 111.695 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 2.3 m -64.44 -26.62 68.53 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.187 0.993 . . . . 25.0 113.491 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 38.5 t -80.45 101.13 8.87 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.348 -0.612 . . . . 25.0 109.348 -179.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 2.3 mt -70.86 131.13 34.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.771 0.796 . . . . 25.0 111.689 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 14.5 m -91.97 175.51 6.85 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 114.619 -1.173 . . . . 25.0 108.34 173.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -65.64 -39.44 91.44 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 120.513 -1.367 . . . . 25.0 110.942 -178.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 746' ' ' GLU . . . . . 0.577 ' H ' ' CD ' ' A' ' 746' ' ' GLU . 1.5 mp0 -67.68 -37.71 82.71 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 108.297 -1.001 . . . . 25.0 108.297 -178.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -59.13 -62.42 1.9 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.776 -1.102 . . . . 25.0 110.921 177.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.58 -28.8 48.75 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 121.93 -0.481 . . . . 25.0 111.658 178.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.43 -55.27 22.05 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.273 -0.421 . . . . 25.0 110.907 -178.333 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -69.33 -31.89 70.63 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.881 -0.414 . . . . 25.0 109.881 -177.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -59.41 -42.42 91.76 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.183 0.516 . . . . 25.0 109.938 176.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 33.1 mtp85 -75.05 -41.2 59.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.487 -0.324 . . . . 25.0 110.381 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -66.87 -39.48 87.55 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.966 0.728 . . . . 25.0 112.966 -177.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 15.9 t -67.68 -43.65 79.67 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 118.353 0.524 . . . . 25.0 110.152 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -40.98 89.3 Favored 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 177.3 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.29 -30.67 67.73 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.495 0.554 . . . . 25.0 112.495 179.266 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -68.86 -35.19 76.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.039 -0.413 . . . . 25.0 109.994 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -90.31 -33.19 16.2 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 116.22 -0.445 . . . . 25.0 110.993 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 759' ' ' ASP . . . . . 0.451 ' HA ' HD21 ' A' ' 766' ' ' LEU . 47.7 t0 -91.3 70.4 6.09 Favored 'General case' 0 CA--C 1.502 -0.888 0 CA-C-O 122.251 1.024 . . . . 25.0 108.751 -178.645 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -79.33 -1.8 38.53 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.724 -1.125 . . . . 25.0 110.785 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -89.98 -11.46 41.58 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 106.719 -1.586 . . . . 25.0 106.719 175.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 51.36 38.46 21.72 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.218 -1.355 . . . . 25.0 113.104 178.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 96.6 p -78.08 -20.03 53.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.601 -0.727 . . . . 25.0 111.176 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 95.0 2.46 62.49 Favored Glycine 0 C--O 1.246 0.878 0 N-CA-C 110.192 -1.163 . . . . 25.0 110.192 -178.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.3 p -146.37 165.6 28.83 Favored 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 123.504 0.721 . . . . 25.0 109.377 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 766' ' ' LEU . . . . . 0.469 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 15.9 mt -145.18 174.92 10.66 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 106.506 -1.664 . . . . 25.0 106.506 174.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -85.08 178.65 50.93 Favored Glycine 0 N--CA 1.445 -0.756 0 N-CA-C 109.139 -1.584 . . . . 25.0 109.139 179.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -70.96 -29.48 18.1 Favored 'Trans proline' 0 C--O 1.223 -0.259 0 CA-C-N 117.938 0.869 . . . . 25.0 113.75 -175.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -80.37 -37.52 32.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.541 0.686 . . . . 25.0 109.724 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -66.7 -52.99 38.29 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.77 -0.65 . . . . 25.0 110.481 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 771' ' ' PHE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -59.73 -31.61 69.78 Favored 'General case' 0 C--O 1.211 -0.948 0 C-N-CA 120.29 -0.564 . . . . 25.0 112.195 174.329 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -61.45 -47.83 83.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 119.24 0.927 . . . . 25.0 109.625 177.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.04 -25.95 62.88 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.117 0.484 . . . . 25.0 111.498 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 43.8 t -62.84 -32.12 73.27 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.628 -0.508 . . . . 25.0 109.628 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 775' ' ' LEU . . . . . 0.42 ' HB3' ' CG ' ' A' ' 780' ' ' TYR . 13.2 mt -72.52 -31.6 65.45 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-O 120.971 0.415 . . . . 25.0 111.645 178.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.1 mt -58.92 -35.77 58.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.072 -0.714 . . . . 25.0 109.072 -177.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 23.2 t -64.15 -17.99 64.01 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 112.352 0.501 . . . . 25.0 112.352 178.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 20.1 mt -94.93 -16.78 22.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.998 0.428 . . . . 25.0 110.596 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 115.83 37.18 1.08 Allowed Glycine 0 C--O 1.224 -0.505 0 CA-C-N 115.497 -0.774 . . . . 25.0 114.288 178.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 780' ' ' TYR . . . . . 0.42 ' CG ' ' HB3' ' A' ' 775' ' ' LEU . 11.3 m-85 -104.65 131.08 52.5 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 -179.604 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -84.05 54.47 2.94 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.849 0.833 . . . . 25.0 110.781 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 38.8 mt -126.93 77.24 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.492 0.663 . . . . 25.0 109.568 -176.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -135.13 60.39 0.65 Allowed Glycine 0 C--O 1.226 -0.344 0 CA-C-N 115.941 -0.572 . . . . 25.0 114.258 -177.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 31.4 t30 73.16 8.81 5.32 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.627 1.171 . . . . 25.0 112.266 -179.178 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -69.92 153.01 95.79 Favored Pre-proline 0 C--N 1.317 -0.814 0 N-CA-C 107.338 -1.356 . . . . 25.0 107.338 176.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -69.64 -19.65 36.42 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 113.619 -3.787 . . . . 25.0 112.807 -176.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -83.87 -36.3 23.51 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.992 -1.114 . . . . 25.0 107.992 177.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -60.44 -56.92 21.72 Favored Glycine 0 C--O 1.212 -1.276 0 N-CA-C 110.82 -0.912 . . . . 25.0 110.82 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -59.52 -30.65 68.74 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 118.649 1.224 . . . . 25.0 113.157 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -64.79 -36.67 85.07 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 121.078 -0.249 . . . . 25.0 110.932 177.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -90.03 -25.29 20.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.789 0.804 . . . . 25.0 110.071 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.95 -34.32 73.26 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 108.1 -1.074 . . . . 25.0 108.1 178.515 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.95 -34.2 72.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.04 0.448 . . . . 25.0 111.593 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -83.55 -28.36 28.65 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 109.109 -0.7 . . . . 25.0 109.109 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 41.0 mt -68.59 -48.86 69.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.881 -0.415 . . . . 25.0 109.881 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 19.5 ptt? -61.41 -28.82 69.53 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 121.064 0.459 . . . . 25.0 111.241 -177.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 57.2 m -70.6 -20.38 62.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.446 -0.343 . . . . 25.0 111.912 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 71.7 mt -96.01 -44.66 13.0 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.553 0 CA-C-O 121.028 0.442 . . . . 25.0 111.889 -177.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.449 ' HB ' HG13 ' A' ' 807' ' ' VAL . 33.5 m -79.84 -8.25 11.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 113.487 0.921 . . . . 25.0 113.487 -175.057 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -139.42 64.02 29.9 Favored Pre-proline 0 C--N 1.321 -0.655 0 N-CA-C 107.988 -1.115 . . . . 25.0 107.988 -178.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -78.77 -17.45 12.36 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 116.433 -1.911 . . . . 25.0 115.022 -172.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 802' ' ' ASN . . . . . 0.869 ' HB2' HD11 ' A' ' 804' ' ' LEU . 0.5 OUTLIER -88.48 -10.09 50.25 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 118.198 0.454 . . . . 25.0 109.858 -176.57 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 81.44 42.78 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.112 0 CA-C-O 124.73 2.205 . . . . 25.0 112.15 173.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 804' ' ' LEU . . . . . 0.869 HD11 ' HB2' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -80.34 -23.55 40.48 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 110.465 -3.061 . . . . 25.0 112.096 -176.039 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 79.09 18.68 74.11 Favored Glycine 0 C--O 1.243 0.678 0 CA-C-N 114.25 -1.341 . . . . 25.0 111.673 175.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 15.5 m -143.7 149.71 17.77 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 CA-C-O 121.969 0.89 . . . . 25.0 110.119 -175.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 807' ' ' VAL . . . . . 0.449 HG13 ' HB ' ' A' ' 799' ' ' VAL . 9.5 t -119.88 126.78 75.65 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.527 -0.761 . . . . 25.0 108.972 -178.305 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 8.3 t -97.35 159.46 14.91 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.827 -0.624 . . . . 25.0 109.459 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -50.7 -44.01 57.84 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-O 121.469 0.652 . . . . 25.0 111.064 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -20.61 61.09 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 121.518 -0.738 . . . . 25.0 110.287 -174.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -77.59 -41.24 39.41 Favored 'General case' 0 C--O 1.217 -0.625 0 C-N-CA 119.885 -0.726 . . . . 25.0 110.949 -177.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.437 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.1 p90 -68.08 -30.02 69.1 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 119.066 -1.054 . . . . 25.0 110.274 178.342 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 19.7 mm -64.43 -27.64 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-O 121.579 0.704 . . . . 25.0 110.039 176.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -61.73 -41.33 97.5 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.41 0.624 . . . . 25.0 110.573 -179.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 815' ' ' PHE . . . . . 0.437 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.0 p90 -84.92 -23.34 28.91 Favored 'General case' 0 C--O 1.214 -0.796 0 C-N-CA 119.841 -0.744 . . . . 25.0 112.682 178.405 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.515 ' O ' HG22 ' A' ' 820' ' ' THR . 2.3 ppp? -55.81 -38.94 70.64 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 118.456 0.571 . . . . 25.0 110.555 -174.289 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 33.6 t -60.61 -30.4 69.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.356 0.598 . . . . 25.0 111.449 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -85.8 -42.33 14.26 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 113.236 0.828 . . . . 25.0 113.236 -177.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -78.69 -39.34 36.89 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 113.393 0.886 . . . . 25.0 113.393 -174.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 820' ' ' THR . . . . . 0.524 ' HG1' ' N ' ' A' ' 740' ' ' GLY . 14.9 t -97.35 27.55 4.15 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 108.193 -1.04 . . . . 25.0 108.193 178.486 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -56.24 -37.17 69.38 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 114.901 -1.045 . . . . 25.0 109.24 176.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -83.64 152.63 24.69 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.068 -1.086 . . . . 25.0 108.068 176.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 7.2 t -152.41 154.11 34.92 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 122.008 -0.433 . . . . 25.0 110.869 -176.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -129.0 163.55 25.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.233 0.539 . . . . 25.0 110.732 -178.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 82.2 p -61.92 -18.42 60.2 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.341 0.867 . . . . 25.0 113.341 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -62.39 -24.94 67.66 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 122.09 -0.381 . . . . 25.0 110.88 176.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -60.41 -33.49 72.57 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-O 120.762 0.315 . . . . 25.0 110.956 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -61.81 -46.94 87.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.611 0.72 . . . . 25.0 111.874 -177.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 15.0 p -77.1 -32.79 19.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.182 -0.673 . . . . 25.0 109.182 -177.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -42.69 89.8 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.87 -0.419 . . . . 25.0 109.87 178.262 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.58 -36.64 78.99 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 116.193 -0.458 . . . . 25.0 109.797 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 40.8 m -58.88 -41.29 86.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.997 0.427 . . . . 25.0 111.287 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -73.21 -34.76 66.13 Favored 'General case' 0 C--O 1.22 -0.483 0 O-C-N 121.638 -0.664 . . . . 25.0 110.39 178.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -64.12 -18.77 64.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.451 -0.795 . . . . 25.0 112.022 -178.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 68.5 mt -73.85 -49.51 34.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.275 -1.009 . . . . 25.0 108.275 177.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.79 -28.15 26.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.698 0.761 . . . . 25.0 111.575 -171.36 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.651 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -108.58 17.46 21.97 Favored 'General case' 0 C--O 1.206 -1.233 0 CA-C-N 115.701 -0.681 . . . . 25.0 112.231 -177.021 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -61.69 -26.41 66.78 Favored Glycine 0 C--N 1.316 -0.533 0 N-CA-C 108.346 -1.901 . . . . 25.0 108.346 172.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -70.23 -21.52 63.0 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 176.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -130.51 -178.09 4.63 Favored 'General case' 0 C--O 1.21 -0.988 0 CA-C-N 118.942 0.792 . . . . 25.0 111.023 -177.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -104.45 11.09 34.91 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.932 -0.766 . . . . 25.0 108.932 175.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -157.81 176.98 11.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.315 -0.402 . . . . 25.0 110.252 -176.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 843' ' ' ILE . . . . . 0.651 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.4 OUTLIER -135.7 155.02 35.58 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 N-CA-C 109.02 -0.734 . . . . 25.0 109.02 -177.192 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 41.0 p -108.41 160.23 16.04 Favored 'General case' 0 C--N 1.313 -1.018 0 O-C-N 121.112 -0.992 . . . . 25.0 109.255 173.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 72.1 mtm -60.44 -35.45 75.85 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.773 -1.103 . . . . 25.0 109.354 175.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -67.41 -30.35 70.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.396 -0.82 . . . . 25.0 112.005 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 847' ' ' GLU . . . . . 0.504 ' CD ' HH21 ' A' ' 850' ' ' ARG . 47.4 mm-40 -77.5 -55.85 5.03 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.763 -0.375 . . . . 25.0 110.365 177.514 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.1 pp -63.49 -26.42 68.71 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.397 0.517 . . . . 25.0 112.397 -175.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 36.3 ptt85 -69.76 -13.13 62.13 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 120.22 -0.592 . . . . 25.0 112.496 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 850' ' ' ARG . . . . . 0.504 HH21 ' CD ' ' A' ' 847' ' ' GLU . 3.2 ptp180 -81.1 -29.17 34.95 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.219 0.533 . . . . 25.0 109.984 -179.028 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -82.7 -40.83 20.1 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.962 -1.017 . . . . 25.0 110.67 -174.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.75 79.36 56.4 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 108.78 -0.822 . . . . 25.0 108.78 177.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -63.23 -21.76 72.24 Favored 'Trans proline' 0 CA--C 1.553 1.431 0 N-CA-C 119.595 2.883 . . . . 25.0 119.595 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -79.74 -162.66 0.19 Allowed 'Trans proline' 0 C--N 1.363 1.307 1 C-N-CA 113.229 -4.047 . . . . 25.0 111.825 175.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.7 -20.34 0.8 Allowed 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.534 1.309 . . . . 25.0 114.534 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -52.69 -38.24 60.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.008 -0.433 . . . . 25.0 111.791 177.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.11 -43.23 99.03 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-O 120.8 0.333 . . . . 25.0 110.377 178.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -68.54 -41.73 79.45 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.289 0.566 . . . . 25.0 109.559 -176.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -65.08 -26.6 68.3 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.568 176.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 30.8 m -76.44 -44.73 34.47 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 177.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 22.6 mt -60.63 -38.64 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 109.487 -0.56 . . . . 25.0 109.487 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.25 -9.88 20.11 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.894 1.072 . . . . 25.0 113.894 178.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -124.1 -24.06 4.45 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 114.214 1.191 . . . . 25.0 114.214 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 2.1 ttm -63.51 144.64 56.82 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.787 -0.449 . . . . 25.0 109.787 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -71.86 144.96 88.69 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 108.235 -1.024 . . . . 25.0 108.235 -176.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -75.22 145.94 31.32 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 CA-C-O 121.475 0.531 . . . . 25.0 111.326 177.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -105.75 128.99 54.04 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 113.184 0.809 . . . . 25.0 113.184 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 4.0 m -135.99 60.43 1.68 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.68 0.752 . . . . 25.0 109.31 177.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -111.39 -168.75 18.68 Favored Glycine 0 CA--C 1.519 0.314 0 CA-C-N 115.574 -0.739 . . . . 25.0 112.695 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -70.16 -28.82 22.85 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 CA-C-N 118.934 1.367 . . . . 25.0 114.88 -178.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -92.64 19.11 7.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.541 0.686 . . . . 25.0 110.186 -178.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 78.6 p -73.76 148.35 42.64 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 122.752 1.263 . . . . 25.0 114.328 -172.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 13.0 m -137.27 162.33 55.89 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 104.714 -2.328 . . . . 25.0 104.714 -177.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -74.78 47.98 1.82 Allowed 'Trans proline' 0 CA--C 1.546 1.112 0 C-N-CA 120.813 1.009 . . . . 25.0 114.291 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -178.44 31.43 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 N-CA-C 108.999 -1.64 . . . . 25.0 108.999 178.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -98.48 139.72 33.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.405 -0.898 . . . . 25.0 111.303 -176.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 45.1 mt -135.45 145.21 46.97 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 106.602 -1.629 . . . . 25.0 106.602 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -93.99 111.14 22.81 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 107.83 -1.174 . . . . 25.0 107.83 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -82.96 -32.35 27.12 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 115.919 -0.582 . . . . 25.0 110.367 -176.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 1.9 mtt -65.78 -31.24 72.1 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 107.834 -1.173 . . . . 25.0 107.834 -178.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.0 t -87.42 -16.56 34.52 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 114.126 1.158 . . . . 25.0 114.126 -178.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -53.53 -43.38 68.32 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.592 0.96 . . . . 25.0 113.592 -174.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 75.2 m -67.01 -17.53 64.96 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.655 0.983 . . . . 25.0 113.655 -178.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 43.5 p -91.63 -27.82 17.89 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.716 -0.393 . . . . 25.0 111.45 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -156.64 118.85 3.94 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.853 1.057 . . . . 25.0 113.853 -178.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.28 153.14 36.79 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.634 -1.247 . . . . 25.0 107.634 173.273 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -107.12 -37.1 6.39 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 120.68 -0.408 . . . . 25.0 111.577 177.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . 75.19 26.28 66.62 Favored Glycine 0 CA--C 1.518 0.238 0 N-CA-C 118.744 2.258 . . . . 25.0 118.744 172.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -66.79 155.61 37.75 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 117.902 0.851 . . . . 25.0 111.52 -179.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 68.4 m -158.59 169.57 24.12 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 106.219 -1.771 . . . . 25.0 106.219 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -100.8 17.85 20.98 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.256 0.622 . . . . 25.0 110.963 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 72.1 mt . . . . . 0 C--O 1.252 1.186 0 CA-C-O 117.973 -1.013 . . . . 25.0 112.059 -176.969 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.621 0 N-CA-C 111.735 -0.546 . . . . 25.0 111.735 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 47.3 t -59.85 142.9 52.63 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 117.716 0.758 . . . . 25.0 110.693 -178.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 70.0 m -74.58 141.68 44.72 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.246 -0.888 . . . . 25.0 111.277 -176.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -62.59 141.45 17.94 Favored 'Isoleucine or valine' 0 C--O 1.245 0.819 0 CA-C-N 114.616 -1.175 . . . . 25.0 111.308 179.232 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 14.8 m -81.38 163.47 22.8 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.001 -0.545 . . . . 25.0 109.783 176.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -63.24 -33.38 75.38 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.523 -0.735 . . . . 25.0 109.877 178.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -74.98 -23.6 58.29 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.493 -0.322 . . . . 25.0 111.289 177.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -75.05 -56.07 5.11 Favored 'General case' 0 CA--C 1.502 -0.891 0 N-CA-C 109.242 -0.651 . . . . 25.0 109.242 -178.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 25.4 ptp -56.99 -27.0 61.1 Favored 'General case' 0 C--O 1.22 -0.491 0 C-N-CA 119.73 -0.788 . . . . 25.0 110.66 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -61.95 -53.44 55.66 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.152 -0.476 . . . . 25.0 109.806 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -74.54 -33.78 62.81 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 109.088 -0.708 . . . . 25.0 109.088 -175.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -59.0 -47.05 86.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.388 0.613 . . . . 25.0 109.981 176.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -69.78 -39.75 76.45 Favored 'General case' 0 C--O 1.213 -0.833 0 O-C-N 121.702 -0.624 . . . . 25.0 110.047 -178.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -66.78 -38.99 87.63 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-O 118.753 -0.642 . . . . 25.0 112.695 -178.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 69.4 m -71.16 -41.19 70.7 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 118.495 0.589 . . . . 25.0 110.648 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -43.63 85.8 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.776 -1.194 . . . . 25.0 107.776 176.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.31 -33.35 69.6 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 113.111 0.782 . . . . 25.0 113.111 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -64.65 -38.21 90.23 Favored 'General case' 0 CA--C 1.509 -0.622 0 O-C-N 121.618 -0.676 . . . . 25.0 109.557 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -84.31 -39.0 19.7 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 115.747 -0.661 . . . . 25.0 109.478 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -89.13 70.8 8.39 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 123.991 1.853 . . . . 25.0 109.959 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 45.2 mtm180 -74.93 -8.46 56.54 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 113.187 -1.824 . . . . 25.0 111.036 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -92.56 2.3 56.77 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 124.177 0.923 . . . . 25.0 108.719 179.146 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 21.7 p80 39.01 41.17 0.53 Allowed 'General case' 0 C--O 1.241 0.637 0 N-CA-C 114.766 1.395 . . . . 25.0 114.766 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 58.0 m -76.33 -24.33 54.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 122.258 1.028 . . . . 25.0 110.484 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 94.31 0.62 65.17 Favored Glycine 0 C--O 1.246 0.855 0 N-CA-C 109.881 -1.288 . . . . 25.0 109.881 -177.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -148.0 154.08 39.82 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 123.609 0.764 . . . . 25.0 109.951 -175.409 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 766' ' ' LEU . . . . . 0.432 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 13.6 mt -138.27 171.62 14.12 Favored 'General case' 0 CA--C 1.507 -0.68 0 N-CA-C 109.207 -0.664 . . . . 25.0 109.207 178.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -78.77 171.04 55.05 Favored Glycine 0 C--O 1.244 0.752 0 N-CA-C 110.835 -0.906 . . . . 25.0 110.835 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -66.7 -31.64 39.61 Favored 'Trans proline' 0 C--O 1.213 -0.735 0 C-N-CA 120.766 0.977 . . . . 25.0 112.351 -176.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -80.9 -37.95 28.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.28 0.562 . . . . 25.0 110.471 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -60.63 -53.53 56.39 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 116.225 -0.443 . . . . 25.0 110.532 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 771' ' ' PHE . . . . . 0.432 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -63.22 -28.43 70.03 Favored 'General case' 0 C--O 1.213 -0.868 0 N-CA-C 113.47 0.915 . . . . 25.0 113.47 174.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -67.46 -44.26 79.06 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 119.295 0.952 . . . . 25.0 110.93 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.44 -25.88 62.5 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.733 0.777 . . . . 25.0 109.893 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 51.5 t -61.75 -34.78 76.44 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 177.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 10.8 mt -66.65 -32.08 73.16 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-O 120.903 0.383 . . . . 25.0 110.834 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 57.9 mt -59.16 -33.71 51.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 N-CA-C 109.523 -0.547 . . . . 25.0 109.523 -176.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 76.5 p -62.97 -19.95 64.8 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 122.088 -0.383 . . . . 25.0 111.862 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 12.9 mt -93.81 -15.18 25.36 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.388 0.675 . . . . 25.0 111.054 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 117.5 24.7 3.37 Favored Glycine 0 C--O 1.218 -0.868 0 N-CA-C 115.624 1.01 . . . . 25.0 115.624 177.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -93.66 140.31 29.79 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.794 -0.817 . . . . 25.0 108.794 -178.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -94.11 42.45 1.1 Allowed 'General case' 0 N--CA 1.476 0.852 0 CA-C-O 122.585 1.183 . . . . 25.0 110.808 178.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 58.5 mt -115.22 82.33 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 N-CA-C 107.951 -1.129 . . . . 25.0 107.951 -178.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -130.72 58.73 0.7 Allowed Glycine 0 C--O 1.223 -0.575 0 N-CA-C 114.958 0.743 . . . . 25.0 114.958 -176.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 65.75 10.57 6.91 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.127 0.971 . . . . 25.0 112.221 -178.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -67.5 150.2 97.97 Favored Pre-proline 0 C--N 1.318 -0.766 0 N-CA-C 104.679 -2.341 . . . . 25.0 104.679 174.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -67.12 -17.93 50.91 Favored 'Trans proline' 0 C--O 1.217 -0.574 0 C-N-CA 115.698 -2.402 . . . . 25.0 113.871 -178.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -85.11 -36.33 21.21 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.206 -1.035 . . . . 25.0 108.206 178.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -65.8 -39.96 95.39 Favored Glycine 0 C--O 1.208 -1.5 0 N-CA-C 109.31 -1.516 . . . . 25.0 109.31 177.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.38 -35.49 79.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.652 -0.91 . . . . 25.0 111.156 177.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -65.42 -32.01 73.41 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.68 0.622 . . . . 25.0 112.68 -178.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -93.36 -21.15 19.72 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 121.76 0.791 . . . . 25.0 110.566 177.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -73.82 -34.63 64.65 Favored 'General case' 0 C--N 1.313 -0.982 0 O-C-N 121.069 -1.019 . . . . 25.0 108.854 176.491 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -58.63 -32.73 69.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.612 0.72 . . . . 25.0 111.357 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -85.22 -28.17 25.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.475 -0.766 . . . . 25.0 109.992 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 35.5 mt -67.43 -47.29 81.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 O-C-N 123.235 0.334 . . . . 25.0 110.343 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 24.0 ptm -61.03 -26.46 67.63 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.986 -0.446 . . . . 25.0 111.728 -178.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 59.4 m -74.21 -17.74 60.85 Favored 'General case' 0 C--O 1.214 -0.806 0 N-CA-C 111.707 0.262 . . . . 25.0 111.707 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 83.3 mt -94.99 -44.99 13.39 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.532 0 CA-C-O 122.576 1.179 . . . . 25.0 110.573 -177.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.442 ' HB ' HG13 ' A' ' 807' ' ' VAL . 26.2 m -77.42 -16.28 14.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 114.73 -1.123 . . . . 25.0 112.082 -177.17 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -152.84 64.83 5.49 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.029 0.831 . . . . 25.0 112.465 -175.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -71.45 -12.85 29.98 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 118.33 -0.647 . . . . 25.0 112.563 178.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.77 -12.94 58.35 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 122.997 0.519 . . . . 25.0 109.827 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 61.0 45.85 8.94 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 121.732 0.777 . . . . 25.0 110.775 179.025 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 85.7 mt -70.53 -23.68 62.68 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 113.978 -1.464 . . . . 25.0 109.291 176.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 86.03 16.46 63.02 Favored Glycine 0 CA--C 1.508 -0.38 0 CA-C-N 114.681 -1.145 . . . . 25.0 111.526 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 9.5 m -145.75 154.84 13.12 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 N-CA-C 109.978 -0.379 . . . . 25.0 109.978 -176.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 807' ' ' VAL . . . . . 0.442 HG13 ' HB ' ' A' ' 799' ' ' VAL . 16.6 t -127.62 132.94 68.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.057 -0.72 . . . . 25.0 109.057 -179.17 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.16 161.85 14.1 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.976 -0.379 . . . . 25.0 109.976 178.708 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -52.78 -43.25 65.73 Favored 'General case' 0 C--O 1.204 -1.332 0 CA-C-O 121.496 0.665 . . . . 25.0 109.925 178.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -20.24 59.87 Favored 'General case' 0 C--N 1.314 -0.946 0 O-C-N 121.662 -0.649 . . . . 25.0 110.281 -172.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -76.4 -42.59 43.79 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 119.945 -0.702 . . . . 25.0 110.994 -177.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.435 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.1 p90 -67.49 -29.53 68.98 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 119.005 -1.078 . . . . 25.0 110.051 178.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 19.9 mm -65.04 -25.56 37.93 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.618 0 O-C-N 121.516 -0.74 . . . . 25.0 110.705 176.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.01 -40.3 96.05 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.101 -0.999 . . . . 25.0 109.867 -178.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 815' ' ' PHE . . . . . 0.435 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 4.7 p90 -84.63 -19.88 32.25 Favored 'General case' 0 CA--C 1.5 -0.977 0 C-N-CA 119.411 -0.916 . . . . 25.0 112.442 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -60.27 -34.61 73.98 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 118.562 0.619 . . . . 25.0 109.895 -175.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 38.6 t -65.38 -27.86 68.86 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.702 0.763 . . . . 25.0 110.945 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -86.94 -27.13 23.52 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.078 -0.51 . . . . 25.0 110.845 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.02 -26.21 48.36 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 122.798 0.439 . . . . 25.0 110.171 -177.181 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 27.2 m -62.83 -28.78 70.25 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 107.3 -1.37 . . . . 25.0 107.3 174.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . 57.76 14.12 2.33 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 116.184 1.92 . . . . 25.0 116.184 175.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -81.34 163.39 22.91 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.938 0.399 . . . . 25.0 110.416 178.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 43.9 p -121.39 124.37 44.37 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.697 0.629 . . . . 25.0 112.697 -177.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -139.56 163.43 32.58 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 105.883 -1.895 . . . . 25.0 105.883 176.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 4.9 t -74.08 -24.71 59.53 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.807 1.41 . . . . 25.0 114.807 -174.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -76.56 -37.25 56.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 118.146 0.43 . . . . 25.0 110.065 -175.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -57.58 -37.81 73.78 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.365 -0.379 . . . . 25.0 110.943 178.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -60.04 -53.17 60.9 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-O 121.71 0.767 . . . . 25.0 111.666 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 12.6 p -75.06 -31.18 24.44 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.095 0 CA-C-N 115.54 -0.755 . . . . 25.0 111.061 -176.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 10.1 ttm -67.22 -42.5 83.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.998 -0.439 . . . . 25.0 110.319 177.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.1 -36.92 75.98 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.658 -0.867 . . . . 25.0 108.658 178.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 23.9 m -65.54 -45.29 84.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.491 0.662 . . . . 25.0 111.503 -178.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -63.71 -42.14 98.0 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.834 -0.541 . . . . 25.0 109.985 177.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -58.25 -27.49 64.03 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 113.962 1.097 . . . . 25.0 113.962 -176.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 42.3 mt -74.56 -42.23 48.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.532 -0.914 . . . . 25.0 108.532 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.54 -28.07 22.21 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 114.49 1.292 . . . . 25.0 114.49 -174.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -69.53 -44.09 71.7 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 107.809 -1.182 . . . . 25.0 107.809 -177.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 25.39 -83.7 0.0 OUTLIER Glycine 0 N--CA 1.443 -0.882 0 N-CA-C 118.586 2.194 . . . . 25.0 118.586 -175.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.11 -8.85 57.64 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 113.928 1.085 . . . . 25.0 113.928 -175.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -110.5 139.75 45.43 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 106.853 -1.536 . . . . 25.0 106.853 176.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -80.97 10.41 5.16 Favored 'General case' 0 C--N 1.319 -0.761 0 O-C-N 121.902 -0.499 . . . . 25.0 111.514 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 842' ' ' TYR . . . . . 0.41 ' HB3' ' CE1' ' A' ' 867' ' ' TYR . 9.1 p90 -150.07 174.13 13.09 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 109.329 -0.619 . . . . 25.0 109.329 -176.505 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 1.4 tp -128.74 152.46 36.93 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 N-CA-C 107.724 -1.214 . . . . 25.0 107.724 -175.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 66.9 p -106.81 158.76 16.75 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 120.46 -1.4 . . . . 25.0 107.691 174.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 76.2 mtm -57.47 -37.87 73.58 Favored 'General case' 0 C--O 1.21 -0.996 0 N-CA-C 109.707 -0.479 . . . . 25.0 109.707 176.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -62.58 -46.24 89.21 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.621 0.724 . . . . 25.0 112.577 -178.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.75 -47.71 65.59 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.057 -0.974 . . . . 25.0 111.012 -177.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.8 pp -66.67 -22.71 66.09 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 119.458 -0.897 . . . . 25.0 110.759 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -72.24 -12.73 61.29 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 113.193 0.812 . . . . 25.0 113.193 177.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -77.71 -25.15 49.15 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 121.503 0.668 . . . . 25.0 109.466 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -86.01 -40.46 15.78 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.198 -0.91 . . . . 25.0 109.793 -176.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.47 79.25 74.24 Favored Pre-proline 0 N--CA 1.45 -0.436 0 CA-C-N 116.569 -0.287 . . . . 25.0 110.55 -178.512 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.73 -31.07 69.9 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 N-CA-C 118.649 2.519 . . . . 25.0 118.649 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -76.42 -170.26 0.85 Allowed 'Trans proline' 0 C--N 1.363 1.32 0 C-N-CA 113.83 -3.647 . . . . 25.0 112.345 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -51.19 -16.0 0.44 Allowed 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.623 1.342 . . . . 25.0 114.623 -179.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -50.46 -40.31 50.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 118.972 0.806 . . . . 25.0 110.729 173.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -67.84 -39.52 83.84 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-O 120.732 0.301 . . . . 25.0 110.701 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -64.56 -42.05 95.92 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.624 -0.51 . . . . 25.0 109.624 -179.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -66.99 -31.63 72.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.083 -0.508 . . . . 25.0 109.669 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 35.8 m -67.84 -47.67 68.33 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 108.112 -1.07 . . . . 25.0 108.112 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 24.9 mt -61.6 -38.38 80.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-O 121.232 0.539 . . . . 25.0 110.345 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -67.83 -7.99 32.47 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.002 1.112 . . . . 25.0 114.002 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -117.74 -27.81 6.15 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.521 -0.737 . . . . 25.0 112.194 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 864' ' ' MET . . . . . 0.469 ' HG3' ' HB2' ' A' ' 882' ' ' PHE . 16.1 ttm -66.42 142.65 57.52 Favored 'General case' 0 C--O 1.205 -1.27 0 N-CA-C 113.721 1.008 . . . . 25.0 113.721 -173.064 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -70.77 141.41 87.27 Favored Pre-proline 0 C--N 1.314 -0.953 0 CA-C-N 116.232 -0.44 . . . . 25.0 109.956 -177.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -74.4 148.21 37.87 Favored 'Trans proline' 0 C--O 1.223 -0.245 0 CA-C-O 121.618 0.591 . . . . 25.0 113.276 177.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 867' ' ' TYR . . . . . 0.41 ' CE1' ' HB3' ' A' ' 842' ' ' TYR . 78.2 t80 -110.49 126.95 54.9 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 -177.409 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 77.3 p -128.11 46.17 2.62 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 120.918 0.39 . . . . 25.0 110.493 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -93.01 -168.3 39.19 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 121.146 -0.55 . . . . 25.0 113.622 -175.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -70.02 -26.32 26.47 Favored 'Trans proline' 0 C--O 1.214 -0.695 0 C-N-CA 121.559 1.506 . . . . 25.0 115.613 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -107.4 33.79 3.84 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 107.317 -1.364 . . . . 25.0 107.317 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 25.7 p -78.17 146.96 34.73 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 122.132 0.968 . . . . 25.0 112.634 -175.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 18.0 m -131.42 164.09 44.95 Favored Pre-proline 0 C--N 1.318 -0.762 0 N-CA-C 105.711 -1.959 . . . . 25.0 105.711 178.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -57.82 -18.09 32.79 Favored 'Trans proline' 0 CA--C 1.536 0.583 0 N-CA-C 115.622 1.355 . . . . 25.0 115.622 -176.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -117.27 35.96 3.91 Favored Glycine 0 C--O 1.223 -0.593 0 CA-C-O 121.191 0.328 . . . . 25.0 112.973 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -90.84 137.55 32.27 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 112.953 0.723 . . . . 25.0 112.953 -178.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 44.1 mt -136.69 140.03 42.39 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.3 -1.0 . . . . 25.0 108.3 -177.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -90.32 103.14 15.85 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 122.613 1.197 . . . . 25.0 108.639 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -75.69 -30.72 59.43 Favored 'General case' 0 C--O 1.198 -1.633 0 CA-C-N 114.931 -1.031 . . . . 25.0 109.857 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 2.9 mmm -67.8 -30.46 69.89 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 108.317 -0.994 . . . . 25.0 108.317 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 2.5 t -90.29 -12.25 38.4 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.312 1.054 . . . . 25.0 113.818 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 882' ' ' PHE . . . . . 0.469 ' HB2' ' HG3' ' A' ' 864' ' ' MET . 1.9 t80 -60.52 -50.6 72.92 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 114.311 1.226 . . . . 25.0 114.311 -173.177 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 28.5 m -66.95 -16.73 64.53 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.254 0.835 . . . . 25.0 113.254 -178.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 68.8 p -99.35 -10.68 21.99 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.884 0.698 . . . . 25.0 112.884 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -152.29 79.53 1.24 Allowed 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.313 0.578 . . . . 25.0 110.93 -177.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 5.3 mp -90.05 134.94 33.95 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.264 -1.384 . . . . 25.0 107.264 176.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -111.39 -14.51 13.74 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.304 1.224 . . . . 25.0 114.304 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -105.04 8.09 45.11 Favored Glycine 0 C--O 1.217 -0.935 0 CA-C-O 119.891 -0.394 . . . . 25.0 114.02 -177.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -125.93 21.39 7.55 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 106.361 -1.718 . . . . 25.0 106.361 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 1.2 m -97.33 -20.94 17.51 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 115.002 -0.999 . . . . 25.0 112.085 -178.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -138.52 20.26 2.72 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 107.726 -1.213 . . . . 25.0 107.726 -177.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.245 0.857 0 N-CA-C 108.488 -0.93 . . . . 25.0 108.488 -178.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.071 0 N-CA-C 111.591 -0.604 . . . . 25.0 111.591 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 16.3 t -153.85 168.13 27.37 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 106.325 -1.731 . . . . 25.0 106.325 178.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 8.7 t -148.31 150.82 34.31 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 106.486 -1.672 . . . . 25.0 106.486 178.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 2.1 mt -69.3 128.57 32.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 122.625 1.202 . . . . 25.0 111.373 -177.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 2.1 m -84.67 169.26 14.5 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 113.637 -1.62 . . . . 25.0 108.261 175.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -64.01 -35.02 79.33 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.727 -1.233 . . . . 25.0 110.5 178.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -74.14 -22.86 59.27 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 122.73 0.412 . . . . 25.0 110.961 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -72.59 -57.34 4.21 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 121.239 0.543 . . . . 25.0 109.56 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 24.2 ptp -57.11 -25.97 59.69 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 120.15 -0.62 . . . . 25.0 110.925 178.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -56.22 20.92 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.203 -0.453 . . . . 25.0 109.982 179.296 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -71.67 -32.36 67.79 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 110.025 -0.361 . . . . 25.0 110.025 -177.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -58.63 -48.47 80.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.37 0.605 . . . . 25.0 109.765 175.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -66.67 -42.86 85.92 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 116.122 -0.49 . . . . 25.0 110.336 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.37 -40.02 93.0 Favored 'General case' 0 C--O 1.212 -0.889 0 C-N-CA 120.994 -0.282 . . . . 25.0 111.25 -177.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 47.5 m -66.22 -44.23 84.42 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 117.904 0.32 . . . . 25.0 110.801 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -40.68 96.47 Favored 'General case' 0 C--O 1.208 -1.107 0 N-CA-C 108.906 -0.775 . . . . 25.0 108.906 177.298 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.69 -34.74 76.17 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 112.642 0.608 . . . . 25.0 112.642 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -67.11 -36.76 82.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.841 0.829 . . . . 25.0 110.126 -178.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -84.58 -35.12 22.98 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 115.776 -0.647 . . . . 25.0 110.07 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -91.48 71.05 5.97 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 122.958 1.361 . . . . 25.0 109.148 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 46.4 mtm-85 -69.85 -9.58 55.34 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 113.481 -1.691 . . . . 25.0 110.51 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -92.95 -4.66 52.33 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.4 0.619 . . . . 25.0 109.628 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 20.4 p80 42.41 38.43 1.21 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.029 1.332 . . . . 25.0 113.566 -175.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 42.1 t -70.08 -25.25 63.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.982 0.896 . . . . 25.0 109.922 178.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 94.2 1.18 64.97 Favored Glycine 0 N--CA 1.451 -0.3 0 N-CA-C 109.015 -1.634 . . . . 25.0 109.015 -178.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 2.1 p -145.11 155.26 43.21 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 123.464 0.705 . . . . 25.0 110.096 -176.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 766' ' ' LEU . . . . . 0.503 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 14.5 mt -140.02 169.5 17.59 Favored 'General case' 0 CA--C 1.503 -0.857 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 176.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -75.5 171.14 54.34 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.018 -0.833 . . . . 25.0 111.018 -178.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -64.63 -36.73 40.62 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 CA-C-N 118.398 1.099 . . . . 25.0 112.852 -177.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -78.7 -34.4 46.1 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.003 0.43 . . . . 25.0 111.257 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -62.65 -56.24 19.56 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.531 -0.544 . . . . 25.0 109.531 178.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 771' ' ' PHE . . . . . 0.503 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -59.51 -32.84 70.66 Favored 'General case' 0 C--O 1.217 -0.639 0 N-CA-C 112.984 0.735 . . . . 25.0 112.984 174.724 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -60.76 -47.85 84.43 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 119.137 0.88 . . . . 25.0 109.765 176.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.04 -24.58 62.37 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.67 0.748 . . . . 25.0 111.431 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 50.7 t -64.23 -34.62 78.51 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.736 -0.838 . . . . 25.0 108.736 176.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 9.4 mt -67.95 -34.26 76.23 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 121.822 -0.549 . . . . 25.0 109.728 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 57.3 mt -60.23 -31.49 48.37 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 CA-C-O 121.336 0.589 . . . . 25.0 110.085 -177.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 15.7 m -62.65 -21.13 65.47 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.435 0.531 . . . . 25.0 112.435 178.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 16.0 mt -94.6 -17.11 22.64 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 115.611 -0.722 . . . . 25.0 110.775 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 116.64 29.55 2.23 Favored Glycine 0 C--O 1.225 -0.424 0 CA-C-N 115.226 -0.897 . . . . 25.0 114.955 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -95.29 141.57 28.71 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.133 -1.432 . . . . 25.0 107.133 -178.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -96.59 39.63 1.16 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.15 0.976 . . . . 25.0 108.793 177.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 58.9 mt -113.15 98.46 7.04 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 N-CA-C 106.913 -1.514 . . . . 25.0 106.913 -177.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -131.15 -151.74 7.09 Favored Glycine 0 C--N 1.314 -0.654 0 N-CA-C 107.207 -2.357 . . . . 25.0 107.207 -178.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -89.33 12.47 16.09 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.596 0.712 . . . . 25.0 109.204 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.82 152.58 95.09 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 104.894 -2.261 . . . . 25.0 104.894 173.535 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -68.52 -20.86 40.86 Favored 'Trans proline' 0 CA--C 1.516 -0.399 0 N-CA-C 114.518 0.93 . . . . 25.0 114.518 -171.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -79.08 -39.26 34.25 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.794 -1.188 . . . . 25.0 107.794 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -67.58 -45.1 79.82 Favored Glycine 0 C--O 1.203 -1.791 0 N-CA-C 108.737 -1.745 . . . . 25.0 108.737 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.21 -37.4 74.75 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 117.148 0.474 . . . . 25.0 111.155 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -61.78 -37.37 84.07 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.098 0.407 . . . . 25.0 112.098 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -91.3 -25.24 19.54 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.344 0.592 . . . . 25.0 110.51 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.5 -34.17 77.32 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.881 -1.155 . . . . 25.0 107.881 177.217 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -60.4 -27.05 67.14 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 121.516 0.674 . . . . 25.0 110.79 177.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -80.34 -43.58 20.93 Favored 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 108.389 -0.967 . . . . 25.0 108.389 178.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 65.2 mt -59.43 -49.59 83.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 113.956 -1.474 . . . . 25.0 110.376 -176.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 23.4 ptm -59.95 -29.21 68.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.845 0.355 . . . . 25.0 111.363 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 42.6 m -76.44 -16.84 59.59 Favored 'General case' 0 C--N 1.32 -0.699 0 O-C-N 122.203 -0.311 . . . . 25.0 111.788 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 68.4 mt -98.01 -47.73 12.37 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.699 0 CA-C-O 120.994 0.426 . . . . 25.0 110.048 -177.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.409 ' HB ' HG13 ' A' ' 807' ' ' VAL . 29.2 m -74.56 -16.04 16.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.271 -0.422 . . . . 25.0 111.82 -178.086 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -147.36 64.67 8.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 114.525 1.306 . . . . 25.0 114.525 -176.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -75.74 -4.63 15.48 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 117.342 -1.305 . . . . 25.0 111.078 175.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.39 -14.32 38.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.754 -0.657 . . . . 25.0 111.545 -177.109 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 61.01 49.79 5.5 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 122.082 0.944 . . . . 25.0 110.91 -176.068 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 67.6 mt -70.53 -26.89 63.78 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 105.883 -1.895 . . . . 25.0 105.883 173.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 83.55 15.71 70.39 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 109.26 -1.536 . . . . 25.0 109.26 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 11.4 m -155.34 163.8 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.609 0 N-CA-C 108.455 -0.943 . . . . 25.0 108.455 -172.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 807' ' ' VAL . . . . . 0.409 HG13 ' HB ' ' A' ' 799' ' ' VAL . 13.4 t -126.97 131.78 70.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.511 -0.768 . . . . 25.0 109.631 -178.298 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.31 159.09 15.17 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 108.541 -0.911 . . . . 25.0 108.541 178.448 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -51.86 -43.13 63.12 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.649 -0.705 . . . . 25.0 110.431 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -22.03 60.8 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 121.52 -0.737 . . . . 25.0 110.499 -175.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -77.13 -40.9 43.97 Favored 'General case' 0 C--O 1.216 -0.707 0 C-N-CA 119.885 -0.726 . . . . 25.0 111.618 -176.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.412 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.0 OUTLIER -68.29 -31.38 70.79 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.122 -0.986 . . . . 25.0 109.529 177.088 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 13.7 mm -63.95 -29.12 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 109.258 -0.645 . . . . 25.0 109.258 177.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -60.69 -46.09 91.69 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 109.838 -0.43 . . . . 25.0 109.838 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 815' ' ' PHE . . . . . 0.412 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 4.3 p90 -79.93 -25.46 40.48 Favored 'General case' 0 CA--C 1.512 -0.497 0 C-N-CA 119.251 -0.98 . . . . 25.0 111.068 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -64.64 -35.52 81.29 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 105.8 -1.926 . . . . 25.0 105.8 -177.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.71 -28.56 64.83 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 115.819 -0.628 . . . . 25.0 111.106 177.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -77.05 -34.45 57.2 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.556 0.576 . . . . 25.0 112.556 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -77.88 -17.8 56.91 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 119.804 -0.759 . . . . 25.0 111.543 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 39.9 p -102.6 7.87 39.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.419 0.628 . . . . 25.0 110.128 178.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -83.36 13.89 4.02 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.512 1.301 . . . . 25.0 114.512 -177.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -84.34 161.53 20.37 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.493 0.663 . . . . 25.0 112.521 -177.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 73.3 p 51.96 63.47 2.23 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 118.602 2.816 . . . . 25.0 118.602 177.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -122.56 130.27 52.83 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 106.083 -1.821 . . . . 25.0 106.083 170.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 74.3 p -127.22 0.12 6.42 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.62 0.6 . . . . 25.0 112.62 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -76.09 -43.48 43.29 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.887 0.699 . . . . 25.0 112.887 -173.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.2 -35.61 81.36 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 122.044 0.926 . . . . 25.0 111.722 -178.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -56.46 -44.76 80.84 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.89 1.07 . . . . 25.0 113.89 -175.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 6.2 p -69.38 -38.95 78.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 C-N-CA 120.735 -0.386 . . . . 25.0 110.999 -173.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 6.1 tpt -69.24 -40.99 77.58 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 109.255 -0.646 . . . . 25.0 109.255 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.45 93.61 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.894 -0.594 . . . . 25.0 110.349 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 47.6 m -64.32 -39.36 93.75 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.494 0.553 . . . . 25.0 112.494 -178.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -64.32 -35.41 80.78 Favored 'General case' 0 C--O 1.214 -0.79 0 O-C-N 121.332 -0.855 . . . . 25.0 110.231 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -64.64 -25.04 67.78 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.362 -0.535 . . . . 25.0 111.772 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 66.5 mt -79.87 -45.18 23.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 108.606 -0.887 . . . . 25.0 108.606 -178.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.49 -23.11 32.32 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 119.676 -0.81 . . . . 25.0 111.985 -173.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.746 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -107.8 17.56 22.38 Favored 'General case' 0 C--O 1.209 -1.064 0 O-C-N 122.258 -0.276 . . . . 25.0 111.669 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -65.74 -24.46 71.3 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 107.845 -2.102 . . . . 25.0 107.845 171.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -69.96 -19.55 63.35 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.43 0.529 . . . . 25.0 112.43 176.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -131.28 -166.03 1.65 Allowed 'General case' 0 C--O 1.214 -0.796 0 O-C-N 121.692 -0.63 . . . . 25.0 109.693 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -117.17 13.08 14.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.558 -0.714 . . . . 25.0 109.846 174.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 842' ' ' TYR . . . . . 0.408 ' HB3' ' CE2' ' A' ' 867' ' ' TYR . 6.4 p90 -160.95 178.73 9.1 Favored 'General case' 0 CA--C 1.511 -0.551 0 N-CA-C 108.744 -0.836 . . . . 25.0 108.744 -177.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 843' ' ' ILE . . . . . 0.746 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.3 OUTLIER -134.97 152.96 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 N-CA-C 109.001 -0.74 . . . . 25.0 109.001 -179.431 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 41.8 p -105.03 159.06 16.12 Favored 'General case' 0 CA--C 1.495 -1.135 0 N-CA-C 107.815 -1.18 . . . . 25.0 107.815 174.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 72.7 mtm -58.34 -33.4 69.49 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.31 -0.859 . . . . 25.0 110.351 175.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -71.87 -32.49 67.52 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.481 -0.781 . . . . 25.0 111.084 -178.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -76.49 -49.73 15.79 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 120.694 0.283 . . . . 25.0 110.582 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.0 pp -65.77 -26.93 67.94 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.498 -0.881 . . . . 25.0 112.177 -176.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 24.2 ptt85 -71.53 -11.59 60.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.573 -0.704 . . . . 25.0 112.014 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -73.14 -27.12 61.49 Favored 'General case' 0 CA--C 1.513 -0.45 0 O-C-N 121.633 -0.667 . . . . 25.0 109.218 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -83.37 -43.05 16.34 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 114.77 -1.104 . . . . 25.0 110.135 -177.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.8 80.73 71.56 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.347 -0.842 . . . . 25.0 109.191 -178.455 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -63.63 -23.71 69.94 Favored 'Trans proline' 0 CA--C 1.556 1.583 0 N-CA-C 119.583 2.878 . . . . 25.0 119.583 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -79.38 -165.42 0.34 Allowed 'Trans proline' 0 C--N 1.365 1.413 0 C-N-CA 113.738 -3.708 . . . . 25.0 111.731 176.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -49.67 -17.54 0.34 Allowed 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 114.598 1.333 . . . . 25.0 114.598 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -53.05 -39.06 62.97 Favored 'General case' 0 C--O 1.219 -0.51 0 O-C-N 121.853 -0.529 . . . . 25.0 110.833 176.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -61.32 -42.74 99.17 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 122.348 -0.22 . . . . 25.0 111.195 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -67.17 -39.97 86.52 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.246 0.546 . . . . 25.0 110.089 -177.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -65.15 -30.95 71.91 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.005 -0.739 . . . . 25.0 109.005 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 57.2 m -73.96 -42.5 60.42 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 116.366 -0.379 . . . . 25.0 110.343 178.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 22.7 mt -62.84 -40.27 88.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.303 -0.629 . . . . 25.0 109.303 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -62.49 -28.17 69.65 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 121.041 0.448 . . . . 25.0 111.389 178.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 863' ' ' ARG . . . . . 0.411 ' HB3' ' CE1' ' A' ' 882' ' ' PHE . 4.3 mpt_? -93.05 -20.91 20.08 Favored 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 112.365 0.506 . . . . 25.0 112.365 -178.474 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 3.5 ttm -74.2 167.3 21.87 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 113.708 1.003 . . . . 25.0 113.708 -175.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -99.94 143.57 26.73 Favored Pre-proline 0 C--O 1.217 -0.639 0 N-CA-C 107.828 -1.175 . . . . 25.0 107.828 -178.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -75.21 152.38 39.72 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 CA-C-N 118.686 0.566 . . . . 25.0 113.352 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 867' ' ' TYR . . . . . 0.408 ' CE2' ' HB3' ' A' ' 842' ' ' TYR . 47.9 t80 -119.35 125.37 48.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.769 -0.65 . . . . 25.0 112.394 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 72.8 p -128.23 42.21 3.36 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 109.555 -0.535 . . . . 25.0 109.555 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -85.16 -166.55 41.98 Favored Glycine 0 CA--C 1.524 0.636 0 CA-C-O 119.609 -0.55 . . . . 25.0 113.891 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -69.95 -30.61 21.12 Favored 'Trans proline' 0 N--CA 1.475 0.441 0 CA-C-N 118.971 1.386 . . . . 25.0 114.641 -177.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -97.29 23.46 7.47 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 108.889 -0.782 . . . . 25.0 108.889 -177.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 87.7 p -75.0 151.56 38.77 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 122.758 1.266 . . . . 25.0 113.59 -172.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 12.1 m -137.38 162.47 54.92 Favored Pre-proline 0 C--N 1.319 -0.745 0 N-CA-C 103.054 -2.943 . . . . 25.0 103.054 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.07 -23.98 63.63 Favored 'Trans proline' 0 C--N 1.349 0.588 0 N-CA-C 114.994 1.113 . . . . 25.0 114.994 -178.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -106.6 34.19 5.91 Favored Glycine 0 CA--C 1.51 -0.251 0 C-N-CA 121.748 -0.263 . . . . 25.0 113.475 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -92.5 137.49 32.32 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.423 0.63 . . . . 25.0 111.15 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 49.8 mt -135.56 138.36 42.93 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.895 -1.15 . . . . 25.0 107.895 -179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -87.24 102.09 14.15 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 106.91 -1.515 . . . . 25.0 106.91 178.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -73.23 -33.58 65.41 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.255 -0.884 . . . . 25.0 109.439 -178.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 14.1 ttp -67.99 -22.93 64.98 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.624 -0.716 . . . . 25.0 109.321 -176.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 4.3 t -86.18 -24.17 26.24 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.357 -0.838 . . . . 25.0 112.771 177.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 882' ' ' PHE . . . . . 0.411 ' CE1' ' HB3' ' A' ' 863' ' ' ARG . 7.2 t80 -56.04 -43.41 77.81 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.315 0.578 . . . . 25.0 111.679 -179.062 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.09 -23.19 4.96 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 114.945 1.461 . . . . 25.0 114.945 176.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 15.3 t -117.06 -3.43 11.56 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.721 1.008 . . . . 25.0 113.721 178.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -154.2 127.61 8.55 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 122.022 -0.424 . . . . 25.0 111.88 -177.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -144.93 149.38 35.15 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.041 -1.096 . . . . 25.0 108.041 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -127.7 -9.3 5.59 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 114.249 1.203 . . . . 25.0 114.249 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -85.62 40.92 3.04 Favored Glycine 0 N--CA 1.459 0.198 0 N-CA-C 115.493 0.957 . . . . 25.0 115.493 -175.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -103.15 146.07 28.97 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 107.859 -1.163 . . . . 25.0 107.859 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 67.6 m -137.22 177.41 7.88 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.482 -0.562 . . . . 25.0 109.482 -176.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -91.27 15.94 10.98 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 123.47 0.708 . . . . 25.0 110.666 178.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 3.1 tm? . . . . . 0 C--O 1.246 0.892 0 CA-C-N 115.138 -0.937 . . . . 25.0 109.402 -178.884 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 CA-C-O 118.916 -0.936 . . . . 25.0 111.262 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 53.2 p -142.87 172.82 12.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 118.273 1.037 . . . . 25.0 109.711 -176.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.26 150.95 41.91 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.278 -0.638 . . . . 25.0 109.278 179.4 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 3.8 mt -62.41 120.12 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 122.846 1.308 . . . . 25.0 113.205 -177.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 29.0 m -91.95 176.9 6.34 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 112.917 -1.947 . . . . 25.0 107.647 173.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -62.72 -36.25 82.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.216 -0.927 . . . . 25.0 109.538 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 15.9 pm0 -73.24 -23.47 60.35 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 123.596 0.758 . . . . 25.0 111.349 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.69 -57.65 3.75 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-O 121.296 0.57 . . . . 25.0 110.676 178.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 23.8 ptp -55.03 -27.15 42.3 Favored 'General case' 0 C--O 1.212 -0.89 0 C-N-CA 120.675 -0.41 . . . . 25.0 110.611 177.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.49 -56.35 22.48 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.186 -0.461 . . . . 25.0 111.098 179.207 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 750' ' ' GLU . . . . . 0.422 ' H ' ' HG2' ' A' ' 750' ' ' GLU . 13.9 pt-20 -69.35 -30.53 68.57 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.84 -0.43 . . . . 25.0 109.84 -177.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -63.93 -48.75 75.33 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.319 0.581 . . . . 25.0 111.683 174.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -66.52 -39.24 88.52 Favored 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 121.817 -0.552 . . . . 25.0 109.727 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.18 -39.12 78.9 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.62 0.6 . . . . 25.0 112.62 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 12.1 p -67.02 -43.35 83.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 118.51 0.596 . . . . 25.0 110.825 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -40.98 92.65 Favored 'General case' 0 C--O 1.211 -0.949 0 N-CA-C 108.673 -0.862 . . . . 25.0 108.673 177.073 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.48 -30.83 67.74 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.65 0.611 . . . . 25.0 112.65 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -69.44 -34.6 74.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.01 0.434 . . . . 25.0 109.867 -178.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -88.25 -36.87 16.48 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.939 -0.573 . . . . 25.0 110.049 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 759' ' ' ASP . . . . . 0.439 ' HA ' HD21 ' A' ' 766' ' ' LEU . 55.2 t0 -91.3 70.64 6.11 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 122.568 1.175 . . . . 25.0 108.756 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -79.89 -0.35 34.54 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.074 -1.421 . . . . 25.0 110.704 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -92.74 -11.46 33.83 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.262 -1.385 . . . . 25.0 107.262 176.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 53.83 37.74 27.09 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 114.333 -1.303 . . . . 25.0 112.484 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 43.3 t -70.18 -28.16 65.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.933 -1.031 . . . . 25.0 110.349 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 94.21 1.85 64.49 Favored Glycine 0 C--O 1.24 0.486 0 N-CA-C 109.456 -1.457 . . . . 25.0 109.456 -178.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -150.27 151.63 33.27 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 108.895 -0.78 . . . . 25.0 108.895 -175.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 766' ' ' LEU . . . . . 0.467 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 20.6 mt -134.9 174.34 10.71 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 107.105 -1.442 . . . . 25.0 107.105 176.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -85.46 179.4 50.49 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.141 -1.184 . . . . 25.0 110.141 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.29 -29.7 20.93 Favored 'Trans proline' 0 C--O 1.222 -0.28 0 C-N-CA 121.095 1.197 . . . . 25.0 113.593 -175.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.05 -40.32 31.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.787 0.803 . . . . 25.0 109.414 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -66.41 -53.76 32.05 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.455 -0.793 . . . . 25.0 110.914 -177.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 771' ' ' PHE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.4 OUTLIER -59.09 -31.69 69.13 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 112.636 0.606 . . . . 25.0 112.636 174.188 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -63.76 -46.4 85.46 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.864 0.756 . . . . 25.0 109.967 177.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -72.19 -24.52 61.43 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.408 0.623 . . . . 25.0 111.235 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 46.9 t -64.0 -34.34 77.78 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.972 -0.751 . . . . 25.0 108.972 176.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.52 -33.79 75.78 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-O 121.23 0.538 . . . . 25.0 109.645 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 60.8 mt -59.5 -32.66 49.39 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 O-C-N 121.933 -0.479 . . . . 25.0 110.048 -178.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.84 -16.72 59.66 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.594 0.59 . . . . 25.0 112.594 177.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 16.9 mt -97.46 -20.76 17.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.339 -0.391 . . . . 25.0 110.744 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 121.02 32.21 1.1 Allowed Glycine 0 C--O 1.221 -0.672 0 CA-C-N 115.874 -0.603 . . . . 25.0 114.503 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -98.45 143.84 28.45 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 106.261 -1.755 . . . . 25.0 106.261 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -99.5 33.63 2.43 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 122.226 1.012 . . . . 25.0 110.634 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 72.5 mt -101.21 76.76 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 105.589 -2.004 . . . . 25.0 105.589 -178.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -141.5 74.46 0.35 Allowed Glycine 0 C--O 1.219 -0.813 0 N-CA-C 116.901 1.52 . . . . 25.0 116.901 -175.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 44.8 t30 70.2 7.87 6.41 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.348 1.059 . . . . 25.0 112.44 178.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -82.09 149.91 63.67 Favored Pre-proline 0 C--N 1.314 -0.94 0 N-CA-C 105.978 -1.86 . . . . 25.0 105.978 175.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -70.54 -20.58 30.99 Favored 'Trans proline' 0 C--O 1.224 -0.2 0 C-N-CA 116.904 -1.597 . . . . 25.0 112.94 -177.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -80.49 -36.15 33.76 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.134 -1.062 . . . . 25.0 108.134 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -65.38 -47.68 76.85 Favored Glycine 0 C--O 1.211 -1.339 0 N-CA-C 109.124 -1.591 . . . . 25.0 109.124 177.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.9 -33.79 69.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 118.064 0.932 . . . . 25.0 112.129 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -64.68 -35.16 80.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.475 -0.33 . . . . 25.0 111.295 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 791' ' ' GLU . . . . . 0.466 ' HB2' ' HE ' ' A' ' 794' ' ' ARG . 14.7 pt-20 -95.63 -17.64 21.18 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 121.889 0.852 . . . . 25.0 111.527 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.7 -32.74 68.13 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 106.733 -1.58 . . . . 25.0 106.733 174.375 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.52 -33.74 71.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.987 -0.551 . . . . 25.0 111.889 178.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 794' ' ' ARG . . . . . 0.466 ' HE ' ' HB2' ' A' ' 791' ' ' GLU . 23.1 ptt85 -82.7 -28.97 30.2 Favored 'General case' 0 C--O 1.215 -0.724 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.437 HG23 ' CE2' ' A' ' 815' ' ' PHE . 42.3 mt -68.26 -51.48 47.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.852 -0.425 . . . . 25.0 109.852 -178.463 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 18.6 ptt? -59.68 -29.41 68.06 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-O 120.853 0.359 . . . . 25.0 111.287 -178.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 50.7 m -72.08 -20.25 61.68 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.175 0.435 . . . . 25.0 112.175 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 66.4 mt -95.43 -47.14 13.18 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.62 0 CA-C-O 121.221 0.534 . . . . 25.0 110.813 -176.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 31.7 m -76.33 -14.04 14.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.929 -0.578 . . . . 25.0 111.735 -176.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -153.8 68.74 6.28 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-O 121.75 0.786 . . . . 25.0 111.033 -176.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -72.05 -7.67 21.47 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 118.157 -0.762 . . . . 25.0 112.621 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -91.48 -10.16 41.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.366 -0.379 . . . . 25.0 110.874 -178.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 58.57 49.02 11.05 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.796 0.808 . . . . 25.0 110.585 -177.558 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 85.4 mt -71.76 -26.19 62.35 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.573 -1.194 . . . . 25.0 107.938 175.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 89.51 19.42 48.99 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.225 -0.898 . . . . 25.0 111.801 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 14.8 m -144.64 153.45 14.81 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 CA-C-O 121.198 0.523 . . . . 25.0 110.62 -176.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 12.5 t -131.41 131.48 63.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.486 -0.779 . . . . 25.0 109.703 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -96.95 160.74 14.18 Favored 'General case' 0 CA--C 1.503 -0.85 0 N-CA-C 109.22 -0.659 . . . . 25.0 109.22 178.654 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -53.84 -42.06 68.07 Favored 'General case' 0 C--O 1.213 -0.822 0 CA-C-N 115.309 -0.86 . . . . 25.0 110.005 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -22.3 59.32 Favored 'General case' 0 C--N 1.318 -0.791 0 O-C-N 121.602 -0.686 . . . . 25.0 109.646 -174.757 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -75.47 -42.89 52.0 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 119.968 -0.693 . . . . 25.0 111.027 -177.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.451 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.0 OUTLIER -66.26 -30.59 71.05 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 119.272 -0.971 . . . . 25.0 110.288 178.214 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 18.8 mm -63.82 -26.97 41.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.336 0.588 . . . . 25.0 110.548 177.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.06 -43.74 94.56 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 119.446 -0.902 . . . . 25.0 110.627 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 815' ' ' PHE . . . . . 0.451 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.2 p90 -80.37 -24.5 39.75 Favored 'General case' 0 CA--C 1.505 -0.777 0 C-N-CA 119.256 -0.978 . . . . 25.0 111.38 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.33 -33.54 75.74 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 107.04 -1.467 . . . . 25.0 107.04 -178.157 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 27.9 t -64.78 -26.21 68.25 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.063 0.459 . . . . 25.0 111.526 177.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -85.68 -36.71 20.09 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 112.345 0.498 . . . . 25.0 112.345 -179.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -79.14 -35.61 41.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.538 0.685 . . . . 25.0 109.979 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.69 27.57 3.41 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 122.457 1.123 . . . . 25.0 111.054 -179.366 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -67.81 19.22 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.006 0 CA-C-N 114.046 -1.434 . . . . 25.0 114.628 -178.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -139.47 159.44 42.15 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 106.424 -1.695 . . . . 25.0 106.424 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 24.3 m -126.17 89.87 3.09 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.927 0.87 . . . . 25.0 111.897 -176.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -64.15 122.66 17.13 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.595 -1.184 . . . . 25.0 108.157 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 31.7 p -66.07 -30.94 71.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.191 -0.459 . . . . 25.0 111.939 -177.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -72.61 -35.26 67.82 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.906 -0.405 . . . . 25.0 109.906 -179.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -66.59 -31.46 72.17 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.83 0.348 . . . . 25.0 111.246 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -61.29 -48.4 81.54 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.455 0.645 . . . . 25.0 110.953 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 11.6 p -75.27 -28.59 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.128 -0.693 . . . . 25.0 109.128 -177.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -37.25 84.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.019 -0.426 . . . . 25.0 109.892 177.125 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.96 83.95 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.603 -0.518 . . . . 25.0 109.603 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 9.6 m -62.86 -41.14 99.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.061 0.458 . . . . 25.0 111.351 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -69.14 -33.97 74.27 Favored 'General case' 0 C--O 1.22 -0.454 0 O-C-N 121.719 -0.613 . . . . 25.0 110.014 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -63.04 -21.59 66.27 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-O 120.852 0.358 . . . . 25.0 111.054 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 83.2 mt -72.81 -46.03 54.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.13 -1.063 . . . . 25.0 108.13 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.74 -29.43 25.52 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.522 0.677 . . . . 25.0 111.624 -173.317 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.664 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -108.66 17.46 21.92 Favored 'General case' 0 C--O 1.206 -1.213 0 CA-C-N 115.359 -0.837 . . . . 25.0 112.893 -177.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -62.47 -25.18 66.69 Favored Glycine 0 C--N 1.318 -0.442 0 N-CA-C 108.023 -2.031 . . . . 25.0 108.023 171.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -74.0 -18.82 60.81 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.673 0.62 . . . . 25.0 112.673 177.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -130.14 179.93 5.6 Favored 'General case' 0 C--O 1.21 -0.988 0 CA-C-N 119.074 0.852 . . . . 25.0 111.645 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -104.1 11.67 34.9 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.679 -0.638 . . . . 25.0 109.323 175.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 842' ' ' TYR . . . . . 0.434 ' HB3' ' CE2' ' A' ' 867' ' ' TYR . 5.9 p90 -160.33 178.21 9.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.337 -0.392 . . . . 25.0 110.421 -176.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 843' ' ' ILE . . . . . 0.664 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.2 OUTLIER -137.04 157.1 35.3 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.861 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 -177.831 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 41.8 p -106.8 161.79 14.36 Favored 'General case' 0 CA--C 1.501 -0.933 0 O-C-N 120.994 -1.066 . . . . 25.0 109.222 173.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 13.7 mtm -55.87 -40.32 72.75 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.839 -1.073 . . . . 25.0 109.784 176.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -71.21 -34.31 70.72 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.456 -0.793 . . . . 25.0 112.912 -177.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -70.15 -45.91 65.81 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.749 0.309 . . . . 25.0 110.859 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.7 pp -67.93 -26.46 65.98 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.833 -0.542 . . . . 25.0 110.521 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -66.55 -12.24 56.74 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.235 0.457 . . . . 25.0 112.235 177.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 850' ' ' ARG . . . . . 0.463 ' HG2' ' HG2' ' A' ' 851' ' ' GLU . 15.6 ptt180 -78.35 -27.46 47.03 Favored 'General case' 0 C--O 1.224 -0.263 0 N-CA-C 108.903 -0.777 . . . . 25.0 108.903 179.1 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 851' ' ' GLU . . . . . 0.463 ' HG2' ' HG2' ' A' ' 850' ' ' ARG . 25.5 mm-40 -85.74 -39.31 17.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.483 -0.78 . . . . 25.0 110.167 -175.481 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.19 77.01 77.43 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 115.842 -0.617 . . . . 25.0 110.099 179.304 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.21 -32.24 79.58 Favored 'Trans proline' 0 CA--C 1.553 1.432 0 N-CA-C 118.895 2.613 . . . . 25.0 118.895 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -77.48 -166.39 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.23 0 C-N-CA 114.794 -3.004 . . . . 25.0 112.809 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -49.82 -19.13 0.6 Allowed 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.739 1.385 . . . . 25.0 114.739 -178.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -50.17 -40.83 48.0 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 121.845 -0.534 . . . . 25.0 111.671 175.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.28 98.26 Favored 'General case' 0 C--O 1.214 -0.764 0 C-N-CA 121.058 -0.257 . . . . 25.0 111.492 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -65.96 -41.4 91.26 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.217 0.532 . . . . 25.0 109.681 -178.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -67.4 -26.68 66.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.278 -0.419 . . . . 25.0 110.622 175.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 39.5 m -73.29 -44.54 58.97 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 108.902 -0.777 . . . . 25.0 108.902 177.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 22.8 mt -62.35 -35.65 70.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.233 -0.654 . . . . 25.0 109.233 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.69 -8.28 19.9 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.528 0.936 . . . . 25.0 113.528 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -124.05 -33.57 3.09 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.027 1.121 . . . . 25.0 114.027 177.601 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 34.7 ttm -61.63 146.37 49.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.596 0.712 . . . . 25.0 112.062 -175.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -72.57 141.91 83.25 Favored Pre-proline 0 C--O 1.211 -0.929 0 CA-C-N 115.657 -0.701 . . . . 25.0 110.11 -171.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -75.9 145.41 28.45 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 CA-C-O 121.738 0.641 . . . . 25.0 112.079 177.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 867' ' ' TYR . . . . . 0.434 ' CE2' ' HB3' ' A' ' 842' ' ' TYR . 63.6 t80 -111.41 132.21 54.62 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.418 -0.81 . . . . 25.0 112.171 -179.219 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 7.1 t -137.56 36.23 2.46 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 122.193 0.997 . . . . 25.0 108.884 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -84.07 -167.57 42.54 Favored Glycine 0 CA--C 1.523 0.541 0 CA-C-N 115.443 -0.798 . . . . 25.0 114.053 -176.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -70.47 -26.23 24.46 Favored 'Trans proline' 0 C--O 1.222 -0.303 0 CA-C-N 118.677 1.239 . . . . 25.0 114.727 -178.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -97.45 19.9 12.56 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.714 0.769 . . . . 25.0 109.616 -177.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 83.9 p -75.77 154.72 36.12 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 115.803 1.779 . . . . 25.0 115.803 -171.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 4.0 m -140.28 162.79 47.87 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 103.038 -2.949 . . . . 25.0 103.038 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -68.95 -6.63 18.63 Favored 'Trans proline' 0 CA--C 1.535 0.534 0 C-N-CA 116.84 -1.64 . . . . 25.0 114.987 -176.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -111.87 26.81 11.06 Favored Glycine 0 C--O 1.227 -0.313 0 N-CA-C 112.147 -0.381 . . . . 25.0 112.147 177.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -91.97 141.12 28.98 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.961 0.726 . . . . 25.0 112.961 -175.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 54.0 mt -137.28 142.67 41.94 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.069 -1.456 . . . . 25.0 107.069 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -91.51 111.08 22.44 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 107.289 -1.374 . . . . 25.0 107.289 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -81.66 -36.38 28.85 Favored 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 109.233 -0.654 . . . . 25.0 109.233 -177.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -26.13 68.56 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 122.05 0.928 . . . . 25.0 108.521 -176.297 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 7.9 t -87.86 -15.45 36.72 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 114.32 1.23 . . . . 25.0 114.32 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -65.85 -38.81 89.84 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.258 0.836 . . . . 25.0 113.258 -175.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 6.2 p -57.73 -26.44 61.81 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.134 0.79 . . . . 25.0 113.134 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 12.4 t -109.16 -4.12 16.78 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.947 0.721 . . . . 25.0 112.947 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -154.72 129.09 9.06 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.493 0.923 . . . . 25.0 113.493 -177.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 4.0 pp -140.38 165.64 26.86 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 104.762 -2.31 . . . . 25.0 104.762 175.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -136.53 -2.93 2.15 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.146 0.498 . . . . 25.0 110.882 -175.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -101.54 -140.77 11.37 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-O 122.549 1.083 . . . . 25.0 112.467 -178.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -78.49 154.39 30.56 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 113.96 -1.12 . . . . 25.0 112.754 -175.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 25.5 p -83.97 174.47 10.31 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.616 -0.883 . . . . 25.0 108.616 175.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -109.07 9.68 26.24 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 108.829 -0.804 . . . . 25.0 108.829 175.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 57.0 tp . . . . . 0 C--O 1.252 1.2 0 CA-C-O 116.712 -1.614 . . . . 25.0 109.656 178.692 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.885 0 N-CA-C 111.267 -0.733 . . . . 25.0 111.267 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 741' ' ' SER . . . . . 0.768 ' HA ' HG23 ' A' ' 820' ' ' THR . 8.8 t -60.05 -24.38 64.51 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 117.647 2.462 . . . . 25.0 117.647 -171.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 9.4 t -82.47 128.61 34.43 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 115.115 1.524 . . . . 25.0 115.115 -175.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 743' ' ' ILE . . . . . 0.407 HG21 ' HB3' ' A' ' 748' ' ' MET . 0.9 OUTLIER -76.25 142.69 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 124.223 1.009 . . . . 25.0 112.623 178.277 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 38.9 m -84.19 166.63 17.41 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.214 -0.448 . . . . 25.0 110.854 174.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -61.81 -37.92 86.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 120.537 -1.352 . . . . 25.0 111.01 177.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -72.96 -23.63 60.69 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.673 -0.694 . . . . 25.0 110.677 178.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -73.02 -58.61 3.19 Favored 'General case' 0 CA--C 1.504 -0.814 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 748' ' ' MET . . . . . 0.407 ' HB3' HG21 ' A' ' 743' ' ' ILE . 23.9 ptp -57.1 -26.32 60.26 Favored 'General case' 0 C--O 1.219 -0.504 0 C-N-CA 119.753 -0.779 . . . . 25.0 111.394 178.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.98 -55.69 26.77 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.692 -0.686 . . . . 25.0 109.632 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -72.37 -31.93 66.0 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 121.165 -0.214 . . . . 25.0 110.544 -177.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -59.27 -48.19 82.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.902 -0.499 . . . . 25.0 109.853 175.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 -66.79 -45.12 79.44 Favored 'General case' 0 CA--C 1.508 -0.647 0 N-CA-C 109.159 -0.682 . . . . 25.0 109.159 -179.083 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -63.89 -36.44 83.95 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.885 0.698 . . . . 25.0 112.885 -177.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 45.1 m -71.6 -41.93 68.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 118.438 0.563 . . . . 25.0 110.009 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -39.77 92.34 Favored 'General case' 0 C--O 1.209 -1.066 0 N-CA-C 107.33 -1.359 . . . . 25.0 107.33 177.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.94 -30.76 67.16 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 112.519 0.562 . . . . 25.0 112.519 179.337 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -71.11 -31.32 67.63 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.787 -0.57 . . . . 25.0 110.352 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -91.91 -38.23 12.42 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 109.014 -0.735 . . . . 25.0 109.014 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 759' ' ' ASP . . . . . 0.471 ' HA ' HD21 ' A' ' 766' ' ' LEU . 48.9 t0 -88.31 68.18 8.88 Favored 'General case' 0 CA--C 1.505 -0.778 0 CA-C-O 122.649 1.214 . . . . 25.0 109.192 179.747 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -75.05 -9.63 58.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.184 -1.371 . . . . 25.0 110.516 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -90.48 -10.78 42.42 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.477 -0.783 . . . . 25.0 109.242 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 41.5 m80 51.73 40.82 28.37 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.651 1.18 . . . . 25.0 113.425 -178.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 19.0 m -72.93 -20.64 61.02 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 108.954 -0.758 . . . . 25.0 108.954 176.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 88.53 1.26 81.1 Favored Glycine 0 C--O 1.24 0.474 0 N-CA-C 110.127 -1.189 . . . . 25.0 110.127 -178.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -149.42 155.46 40.46 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.033 -1.099 . . . . 25.0 108.033 -175.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 766' ' ' LEU . . . . . 0.476 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 20.9 mt -136.35 173.19 11.97 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.939 -1.134 . . . . 25.0 107.939 176.015 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.83 173.12 54.65 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 109.857 -1.297 . . . . 25.0 109.857 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -66.53 -36.09 27.42 Favored 'Trans proline' 0 C--O 1.218 -0.525 0 CA-C-N 117.75 0.775 . . . . 25.0 112.873 -176.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -73.82 -35.93 64.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.487 0.66 . . . . 25.0 110.317 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -70.28 -51.64 28.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.938 -0.574 . . . . 25.0 110.33 -177.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 771' ' ' PHE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -61.0 -30.98 70.61 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 113.035 0.754 . . . . 25.0 113.035 174.051 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -63.34 -47.38 82.4 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 109.039 -0.726 . . . . 25.0 109.039 176.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -70.87 -24.44 62.51 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.247 0.546 . . . . 25.0 110.969 -178.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 49.4 t -62.61 -35.93 81.15 Favored 'General case' 0 C--O 1.209 -1.049 0 N-CA-C 109.429 -0.582 . . . . 25.0 109.429 176.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 14.2 mt -65.34 -33.71 76.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.817 0.818 . . . . 25.0 110.674 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 58.1 mt -59.58 -31.34 46.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 O-C-N 121.619 -0.676 . . . . 25.0 111.032 -177.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 82.8 p -63.9 -21.26 66.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.718 0.294 . . . . 25.0 111.697 178.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 16.7 mt -90.81 -18.6 24.6 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-O 121.203 0.525 . . . . 25.0 111.058 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 122.0 21.01 2.96 Favored Glycine 0 C--O 1.211 -1.282 0 CA-C-N 116.037 -0.529 . . . . 25.0 114.207 -179.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -92.1 146.03 24.05 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 107.91 -1.144 . . . . 25.0 107.91 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -101.64 33.34 3.01 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 107.882 -1.155 . . . . 25.0 107.882 178.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 57.3 mt -103.81 100.48 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.775 0 N-CA-C 105.737 -1.949 . . . . 25.0 105.737 -177.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -145.24 -140.14 3.51 Favored Glycine 0 C--O 1.249 1.075 0 N-CA-C 109.495 -1.442 . . . . 25.0 109.495 -178.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -86.6 16.11 4.97 Favored 'General case' 0 CA--C 1.563 1.454 0 CA-C-O 122.729 1.252 . . . . 25.0 109.836 178.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -83.91 149.42 56.4 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 106.39 -1.708 . . . . 25.0 106.39 178.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -70.84 -20.09 30.16 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 116.551 -1.833 . . . . 25.0 115.566 -169.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -81.38 -38.43 26.6 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 107.747 -1.205 . . . . 25.0 107.747 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -65.89 -46.19 83.6 Favored Glycine 0 C--O 1.203 -1.817 0 N-CA-C 109.65 -1.38 . . . . 25.0 109.65 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -57.5 -40.12 78.0 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 121.697 -0.884 . . . . 25.0 111.576 177.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -61.69 -36.81 81.96 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.006 0.373 . . . . 25.0 112.006 -178.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -89.39 -24.98 21.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.43 0.633 . . . . 25.0 110.189 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -68.12 -33.86 75.29 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.819 -0.808 . . . . 25.0 108.819 178.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.48 -28.06 66.68 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 121.664 0.745 . . . . 25.0 111.1 176.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -81.71 -40.98 21.95 Favored 'General case' 0 C--O 1.219 -0.553 0 N-CA-C 108.072 -1.084 . . . . 25.0 108.072 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 39.7 mt -62.16 -47.68 92.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 114.588 -1.187 . . . . 25.0 111.338 -176.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 13.9 ptt? -62.39 -26.53 68.52 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-O 120.761 0.315 . . . . 25.0 111.783 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 49.2 m -76.66 -16.92 59.41 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.507 -0.315 . . . . 25.0 110.894 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 57.8 mt -94.48 -48.64 12.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.454 0.645 . . . . 25.0 110.55 -178.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 23.2 m -75.35 -15.67 15.72 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-O 121.528 0.68 . . . . 25.0 112.675 -176.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -151.93 68.66 7.51 Favored Pre-proline 0 CA--C 1.542 0.646 0 CA-C-N 115.268 -0.878 . . . . 25.0 110.506 -174.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -71.19 -10.04 26.57 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 118.015 -0.857 . . . . 25.0 111.897 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -90.03 -9.21 49.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.314 -0.403 . . . . 25.0 110.191 -179.49 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? 55.06 50.51 15.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 122.259 1.028 . . . . 25.0 111.222 -177.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 87.3 mt -71.22 -26.0 62.74 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 113.978 -1.465 . . . . 25.0 108.337 174.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 89.41 19.78 47.86 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 110.776 -0.93 . . . . 25.0 110.776 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 7.8 m -145.3 153.1 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 CA-C-O 121.596 0.713 . . . . 25.0 110.105 -177.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 14.8 t -131.58 131.61 62.54 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.47 0 CA-C-N 115.19 -0.914 . . . . 25.0 109.827 -177.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.31 159.78 14.72 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.01 -0.737 . . . . 25.0 109.01 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -50.75 -44.53 58.46 Favored 'General case' 0 C--O 1.208 -1.104 0 O-C-N 123.433 0.458 . . . . 25.0 110.364 178.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -24.01 61.39 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 119.979 -0.688 . . . . 25.0 110.03 -174.714 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -74.95 -40.07 60.98 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.293 -0.563 . . . . 25.0 111.896 -177.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.447 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.3 p90 -70.17 -30.6 67.78 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 118.755 -1.178 . . . . 25.0 109.607 178.049 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 12.0 mm -63.03 -29.55 47.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.315 0.579 . . . . 25.0 109.728 177.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -61.99 -43.87 97.93 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.202 0.525 . . . . 25.0 110.731 -178.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 815' ' ' PHE . . . . . 0.447 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.6 p90 -82.34 -25.87 33.48 Favored 'General case' 0 CA--C 1.508 -0.658 0 C-N-CA 119.21 -0.996 . . . . 25.0 111.766 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.437 ' O ' HG22 ' A' ' 820' ' ' THR . 0.0 OUTLIER -65.35 -38.14 89.19 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 106.204 -1.776 . . . . 25.0 106.204 -177.727 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 48.4 t -61.12 -29.9 70.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.159 -0.473 . . . . 25.0 110.452 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 69.2 mtm-85 -85.91 -29.02 23.96 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 114.909 1.448 . . . . 25.0 114.909 -178.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -78.11 -36.69 47.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 119.746 1.157 . . . . 25.0 111.328 -178.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 820' ' ' THR . . . . . 0.768 HG23 ' HA ' ' A' ' 741' ' ' SER . 7.5 t -78.36 -5.77 53.21 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 121.431 0.634 . . . . 25.0 109.572 176.235 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -81.79 -29.82 32.54 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 174.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -69.38 -8.14 43.76 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.23 0.538 . . . . 25.0 110.309 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 76.8 p -119.31 16.06 13.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.697 -0.683 . . . . 25.0 110.752 177.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -83.85 168.3 16.24 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.613 -0.679 . . . . 25.0 110.685 177.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 82.5 p -136.32 154.97 50.71 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.331 0.586 . . . . 25.0 110.552 -179.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -62.92 -17.76 62.21 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 115.489 -0.778 . . . . 25.0 111.409 176.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -53.82 -23.81 13.5 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.669 0.989 . . . . 25.0 113.669 -177.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -29.04 67.59 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.976 0.732 . . . . 25.0 112.976 176.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 5.9 p -77.36 -30.0 17.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 108.603 -0.888 . . . . 25.0 108.603 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.63 -36.22 60.26 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 108.005 -1.109 . . . . 25.0 108.005 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -58.7 -39.34 80.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.087 -0.506 . . . . 25.0 111.193 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 77.4 p -67.68 -41.43 83.68 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 120.133 -0.627 . . . . 25.0 111.411 -179.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -64.64 -37.51 87.81 Favored 'General case' 0 C--O 1.202 -1.401 0 N-CA-C 108.938 -0.764 . . . . 25.0 108.938 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -60.51 -27.09 67.34 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.318 0.488 . . . . 25.0 112.318 -178.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 75.5 mt -75.52 -42.57 42.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.137 -0.69 . . . . 25.0 109.137 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 836' ' ' LEU . . . . . 0.436 HD11 HD11 ' A' ' 843' ' ' ILE . 0.6 OUTLIER -84.87 -27.72 26.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.899 0.857 . . . . 25.0 111.83 -176.427 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.666 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -84.27 -8.97 58.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.56 -0.746 . . . . 25.0 111.305 -178.003 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -60.15 -16.64 42.16 Favored Glycine 0 CA--C 1.523 0.561 0 O-C-N 123.855 0.722 . . . . 25.0 112.366 177.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -65.85 -29.97 70.51 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.612 0.765 . . . . 25.0 109.668 174.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -134.36 -149.92 0.37 Allowed 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 109.032 -0.729 . . . . 25.0 109.032 -177.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -125.13 10.75 8.15 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.677 -0.639 . . . . 25.0 110.048 175.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -155.87 -179.49 8.17 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 107.634 -1.247 . . . . 25.0 107.634 -176.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 843' ' ' ILE . . . . . 0.666 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.2 OUTLIER -131.5 149.27 32.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 N-CA-C 108.093 -1.077 . . . . 25.0 108.093 -178.128 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 39.9 p -100.59 160.32 14.44 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 107.761 -1.2 . . . . 25.0 107.761 173.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 74.9 mtm -56.6 -36.75 69.75 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 114.877 -1.056 . . . . 25.0 110.103 176.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -72.12 -36.83 69.54 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-O 121.157 0.503 . . . . 25.0 110.869 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -68.3 -44.55 75.2 Favored 'General case' 0 C--O 1.222 -0.363 0 O-C-N 121.829 -0.545 . . . . 25.0 111.111 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.7 pp -70.41 -26.2 63.58 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 119.734 -0.787 . . . . 25.0 110.994 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -71.17 -12.96 61.77 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 120.967 -1.083 . . . . 25.0 111.12 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -70.74 -25.6 62.99 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.69 -0.485 . . . . 25.0 109.69 177.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -85.16 -41.93 15.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 122.014 0.912 . . . . 25.0 110.809 -178.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.72 81.4 69.54 Favored Pre-proline 0 C--O 1.22 -0.463 0 CA-C-N 115.177 -0.92 . . . . 25.0 109.946 -177.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -63.38 -22.02 71.54 Favored 'Trans proline' 0 CA--C 1.547 1.15 0 N-CA-C 119.771 2.95 . . . . 25.0 119.771 -178.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -80.05 -164.0 0.26 Allowed 'Trans proline' 0 C--N 1.365 1.439 0 C-N-CA 113.891 -3.606 . . . . 25.0 111.711 175.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -52.4 -16.18 0.81 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.86 1.43 . . . . 25.0 114.86 -178.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -53.22 -37.71 62.27 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 121.761 -0.587 . . . . 25.0 110.963 175.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -69.88 -40.47 75.68 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.53 -0.174 . . . . 25.0 110.53 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -60.94 -45.13 95.93 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 122.642 1.21 . . . . 25.0 108.507 -177.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -67.13 -32.51 73.68 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 114.913 -1.039 . . . . 25.0 109.86 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 21.8 m -70.69 -38.38 73.68 Favored 'General case' 0 C--O 1.219 -0.513 0 O-C-N 122.083 -0.386 . . . . 25.0 110.457 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 20.6 mt -63.16 -40.31 88.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.225 -0.657 . . . . 25.0 109.225 178.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -66.06 -19.6 65.9 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.119 0.414 . . . . 25.0 112.119 178.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -101.81 -29.15 12.03 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 113.226 0.824 . . . . 25.0 113.226 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 4.9 ttm -69.2 147.13 51.74 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.376 0.607 . . . . 25.0 111.754 -177.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -74.75 144.3 79.89 Favored Pre-proline 0 N--CA 1.442 -0.866 0 CA-C-N 115.2 -0.909 . . . . 25.0 108.631 -176.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -74.24 150.57 42.34 Favored 'Trans proline' 0 N--CA 1.464 -0.26 0 CA-C-O 121.961 0.734 . . . . 25.0 112.605 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -115.85 123.62 48.62 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.254 -0.884 . . . . 25.0 111.17 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 1.9 m -128.47 47.61 2.42 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.995 0.902 . . . . 25.0 108.698 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -93.36 -167.2 38.29 Favored Glycine 0 CA--C 1.523 0.587 0 CA-C-N 115.556 -0.747 . . . . 25.0 113.741 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -70.46 -26.54 24.18 Favored 'Trans proline' 0 CA--C 1.533 0.471 0 CA-C-N 118.802 1.301 . . . . 25.0 114.858 -177.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -98.39 21.52 10.97 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 -177.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 84.0 p -74.28 150.37 40.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.814 1.292 . . . . 25.0 113.922 -171.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.9 m -138.11 164.28 41.76 Favored Pre-proline 0 C--N 1.32 -0.704 0 N-CA-C 102.769 -3.048 . . . . 25.0 102.769 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -67.44 -8.2 21.43 Favored 'Trans proline' 0 N--CA 1.475 0.386 0 C-N-CA 117.704 -1.064 . . . . 25.0 114.651 -178.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -114.12 29.02 7.95 Favored Glycine 0 CA--C 1.507 -0.45 0 N-CA-C 111.262 -0.735 . . . . 25.0 111.262 177.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -92.4 136.83 32.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.397 0.617 . . . . 25.0 111.357 -178.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 49.1 mt -135.25 137.95 43.07 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 108.078 -1.082 . . . . 25.0 108.078 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -89.43 103.29 15.94 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 107.877 -1.157 . . . . 25.0 107.877 178.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -71.42 -36.74 71.43 Favored 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 114.841 -1.072 . . . . 25.0 108.366 -177.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 3.9 ttm -62.4 -27.42 69.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.746 0.784 . . . . 25.0 110.4 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 4.7 t -88.59 -14.25 38.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.195 -0.911 . . . . 25.0 113.352 -177.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -59.88 -43.08 94.94 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 121.975 -0.453 . . . . 25.0 111.839 -177.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 60.0 m -65.69 -6.98 13.03 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.334 0.864 . . . . 25.0 113.334 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 47.5 p -109.11 -18.67 13.59 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.129 0.418 . . . . 25.0 112.129 177.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -158.86 139.85 12.89 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 122.579 0.352 . . . . 25.0 111.542 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 4.3 pp -146.71 157.99 43.81 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 106.843 -1.54 . . . . 25.0 106.843 177.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -137.18 -1.53 2.14 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.172 1.175 . . . . 25.0 114.172 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -90.03 4.38 83.07 Favored Glycine 0 C--O 1.224 -0.499 0 N-CA-C 115.794 1.078 . . . . 25.0 115.794 -176.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -142.75 165.76 26.51 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 105.979 -1.86 . . . . 25.0 105.979 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 59.3 m -144.42 155.61 43.83 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 107.125 -1.435 . . . . 25.0 107.125 176.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -64.75 -35.28 80.58 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.56 0.538 . . . . 25.0 112.26 -178.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 34.0 tp . . . . . 0 C--O 1.248 1.016 0 CA-C-O 115.924 -1.988 . . . . 25.0 107.791 -178.124 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 . . . . . 0 C--O 1.225 -0.193 0 N-CA-C 111.434 0.161 . . . . 25.0 111.434 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.22 -56.02 5.38 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-O 121.013 0.435 . . . . 25.0 110.379 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 22.5 ptp -59.05 -24.54 62.96 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.195 -0.602 . . . . 25.0 110.974 178.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.5 -54.68 42.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.055 -0.52 . . . . 25.0 110.07 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -72.64 -33.45 66.61 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.43 -0.35 . . . . 25.0 110.799 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.1 -47.24 87.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.544 0.688 . . . . 25.0 110.374 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -69.12 -40.11 78.49 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 108.932 -0.766 . . . . 25.0 108.932 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.6 -39.88 92.04 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.273 0.842 . . . . 25.0 113.273 -177.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 8.3 p -68.59 -44.64 73.94 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.795 -0.362 . . . . 25.0 110.545 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -40.81 91.21 Favored 'General case' 0 C--O 1.208 -1.094 0 N-CA-C 107.788 -1.189 . . . . 25.0 107.788 177.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.99 -29.57 67.8 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.362 0.505 . . . . 25.0 112.362 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -71.59 -40.88 69.57 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.198 0.523 . . . . 25.0 110.257 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -82.3 -35.18 28.24 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.798 -0.637 . . . . 25.0 110.603 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -96.69 77.52 2.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.89 1.329 . . . . 25.0 108.331 -178.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -78.6 -6.96 57.03 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.185 -1.371 . . . . 25.0 111.506 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -87.43 -14.61 40.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 122.114 0.959 . . . . 25.0 109.005 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 55.45 37.79 29.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 113.909 -1.496 . . . . 25.0 110.553 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 32.7 t -69.51 -26.72 64.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 122.299 1.047 . . . . 25.0 109.1 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 93.96 -1.03 67.49 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 109.183 -1.567 . . . . 25.0 109.183 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 39.9 p -146.37 154.5 41.72 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 109.088 -0.708 . . . . 25.0 109.088 -176.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 766' ' ' LEU . . . . . 0.469 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 22.8 mt -138.61 173.2 11.84 Favored 'General case' 0 CA--C 1.507 -0.684 0 O-C-N 123.99 0.807 . . . . 25.0 109.02 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.23 171.82 54.41 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.597 -0.811 . . . . 25.0 111.878 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -66.2 -29.71 46.92 Favored 'Trans proline' 0 C--O 1.217 -0.539 0 C-N-CA 121.25 1.3 . . . . 25.0 113.627 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -82.59 -37.14 25.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.987 -0.446 . . . . 25.0 110.513 178.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . 0.413 ' HB2' ' HB3' ' A' ' 766' ' ' LEU . 37.7 mm-40 -63.58 -54.81 30.25 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-O 121.199 0.523 . . . . 25.0 110.389 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 771' ' ' PHE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.4 OUTLIER -59.35 -28.05 66.49 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.603 0.964 . . . . 25.0 113.603 174.238 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -68.11 -45.13 74.51 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 118.595 0.634 . . . . 25.0 109.381 178.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -70.79 -26.55 63.38 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.343 0.592 . . . . 25.0 110.38 177.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 50.0 t -62.67 -29.94 71.02 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 122.007 -0.433 . . . . 25.0 111.569 176.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 16.1 mt -68.6 -35.96 78.03 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 58.4 mt -57.52 -34.65 47.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.367 -0.605 . . . . 25.0 109.367 -176.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -19.03 63.5 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.518 0.562 . . . . 25.0 112.518 178.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 22.8 mt -96.71 -15.36 21.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.834 0.349 . . . . 25.0 110.648 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 111.68 40.25 1.23 Allowed Glycine 0 N--CA 1.47 0.954 0 N-CA-C 115.208 0.843 . . . . 25.0 115.208 -178.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -108.94 132.15 54.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 122.284 -0.539 . . . . 25.0 109.957 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -81.72 47.91 1.14 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.699 0.8 . . . . 25.0 111.067 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 60.5 mt . . . . . 0 C--N 1.33 -0.264 0 N-CA-C 108.451 -0.944 . . . . 25.0 108.451 -175.789 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.204 -1.751 0 N-CA-C 108.012 -2.035 . . . . 25.0 108.012 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -61.43 -37.1 82.27 Favored 'General case' 0 C--N 1.317 -0.813 0 O-C-N 122.051 -0.676 . . . . 25.0 110.915 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -65.41 -36.86 85.22 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.586 0.708 . . . . 25.0 111.728 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -86.01 -25.96 25.67 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.399 -0.813 . . . . 25.0 110.97 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.24 -33.69 76.33 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.092 -1.077 . . . . 25.0 108.092 177.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.9 -29.12 68.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.468 0.651 . . . . 25.0 110.752 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -75.84 -42.64 49.07 Favored 'General case' 0 CA--C 1.503 -0.846 0 N-CA-C 108.028 -1.101 . . . . 25.0 108.028 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 71.6 mt -65.31 -49.85 76.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 114.158 -1.383 . . . . 25.0 111.201 -174.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 19.0 ptt? -61.09 -28.2 68.91 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.904 0.383 . . . . 25.0 111.51 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 49.8 m -74.39 -18.22 60.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.377 -0.827 . . . . 25.0 112.839 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 77.0 mt -93.7 -47.95 13.38 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.014 0 CA-C-O 121.027 0.441 . . . . 25.0 109.908 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.426 ' HB ' HG13 ' A' ' 807' ' ' VAL . 20.9 m -76.72 -14.99 14.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.805 -0.634 . . . . 25.0 111.473 -176.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -150.81 67.32 7.82 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 121.981 0.896 . . . . 25.0 112.502 -176.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -72.85 -6.83 19.73 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 118.447 -0.569 . . . . 25.0 112.095 177.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -92.36 -4.63 53.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.283 -0.261 . . . . 25.0 111.2 -179.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? 54.06 50.32 16.89 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.764 0.793 . . . . 25.0 111.522 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 86.7 mt -75.57 -24.6 56.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.079 -1.419 . . . . 25.0 108.693 175.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 83.94 20.65 59.05 Favored Glycine 0 C--O 1.223 -0.569 0 CA-C-N 115.035 -0.984 . . . . 25.0 111.064 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 9.9 m -147.08 156.53 10.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 117.547 0.674 . . . . 25.0 110.284 -176.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 807' ' ' VAL . . . . . 0.426 HG13 ' HB ' ' A' ' 799' ' ' VAL . 10.8 t -131.79 133.04 61.69 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.047 0 C-N-CA 123.113 0.565 . . . . 25.0 110.264 -177.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.73 160.85 14.15 Favored 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 109.376 -0.601 . . . . 25.0 109.376 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -54.22 -42.43 69.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.557 0.694 . . . . 25.0 109.468 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.84 -24.82 61.76 Favored 'General case' 0 C--N 1.316 -0.853 0 O-C-N 121.923 -0.486 . . . . 25.0 110.168 -175.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -75.14 -40.74 59.46 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.4 -0.52 . . . . 25.0 112.108 -177.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.413 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.1 p90 -68.4 -31.8 71.4 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 118.022 -1.471 . . . . 25.0 109.613 176.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 13.5 mm -63.27 -30.01 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 121.408 0.623 . . . . 25.0 109.554 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -59.37 -41.48 89.41 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.333 -0.394 . . . . 25.0 110.526 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 815' ' ' PHE . . . . . 0.413 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 4.3 p90 . . . . . 0 C--O 1.214 -0.776 0 C-N-CA 119.665 -0.814 . . . . 25.0 111.493 176.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.299 0 CA-C-O 121.441 0.639 . . . . 25.0 110.218 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.86 -42.67 98.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.894 -0.593 . . . . 25.0 110.79 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 54.9 m -66.6 -38.95 88.07 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.923 0.712 . . . . 25.0 112.923 -176.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -60.19 -39.52 86.81 Favored 'General case' 0 C--O 1.216 -0.669 0 C-N-CA 119.75 -0.78 . . . . 25.0 111.284 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -62.27 -23.36 66.66 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.572 0.582 . . . . 25.0 112.572 -178.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 74.9 mt -76.83 -42.6 33.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 108.309 -0.997 . . . . 25.0 108.309 -177.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.87 -28.2 24.55 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.282 -0.567 . . . . 25.0 112.364 -176.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.61 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -100.8 13.11 36.06 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 113.042 0.756 . . . . 25.0 113.042 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -61.72 -19.11 57.97 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 120.573 -0.823 . . . . 25.0 112.019 176.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -79.16 -18.52 52.94 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.14 0.576 . . . . 25.0 111.821 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -130.07 -169.77 2.19 Favored 'General case' 0 C--O 1.213 -0.858 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 -178.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -114.08 10.66 17.48 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 122.089 -0.382 . . . . 25.0 110.39 175.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -154.43 174.35 15.01 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 122.09 0.156 . . . . 25.0 110.75 -175.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . 0.61 HD12 ' HB2' ' A' ' 837' ' ' ALA . 2.2 tp -128.9 149.27 33.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 107.592 -1.262 . . . . 25.0 107.592 -176.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 45.0 p -100.53 159.14 15.39 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 121.036 -1.04 . . . . 25.0 109.969 172.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 72.6 mtm -59.85 -32.4 70.65 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 121.71 0.767 . . . . 25.0 109.941 175.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -66.5 -46.6 75.72 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.838 -0.619 . . . . 25.0 110.982 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -66.44 -46.36 76.71 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.979 -0.555 . . . . 25.0 111.442 -177.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.7 pp -65.49 -24.17 67.08 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.301 0.482 . . . . 25.0 112.301 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -71.41 -17.27 62.41 Favored 'General case' 0 C--O 1.222 -0.375 0 O-C-N 121.387 -0.82 . . . . 25.0 109.987 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -72.0 -27.12 62.53 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.329 -0.857 . . . . 25.0 109.06 175.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -81.54 -39.42 24.69 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 112.474 0.546 . . . . 25.0 112.474 -174.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.78 83.51 16.49 Favored Pre-proline 0 C--O 1.213 -0.865 0 N-CA-C 108.378 -0.971 . . . . 25.0 108.378 178.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -62.23 -24.34 76.06 Favored 'Trans proline' 0 CA--C 1.556 1.592 0 N-CA-C 120.622 3.278 . . . . 25.0 120.622 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -77.08 -161.2 0.13 Allowed 'Trans proline' 0 C--N 1.358 1.068 0 C-N-CA 115.165 -2.757 . . . . 25.0 111.363 177.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -59.18 -12.99 6.01 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 114.71 1.374 . . . . 25.0 114.71 -177.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -53.4 -37.05 62.14 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.911 -0.493 . . . . 25.0 110.136 174.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.34 -42.29 96.34 Favored 'General case' 0 C--O 1.218 -0.586 0 C-N-CA 122.148 0.179 . . . . 25.0 110.934 175.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -66.48 -40.81 89.51 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.144 -1.058 . . . . 25.0 108.144 -178.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -65.37 -26.73 68.14 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.887 -0.597 . . . . 25.0 109.853 177.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 44.2 m -77.34 -45.26 26.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.636 -0.665 . . . . 25.0 110.133 177.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 29.3 mt -60.51 -35.01 60.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.18 -8.41 17.11 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.057 1.132 . . . . 25.0 114.057 177.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -123.01 -29.04 3.98 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.549 0.944 . . . . 25.0 113.549 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.09 140.69 58.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.648 0.737 . . . . 25.0 112.873 -176.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -71.72 142.28 85.77 Favored Pre-proline 0 C--O 1.216 -0.695 0 CA-C-N 115.67 -0.695 . . . . 25.0 109.327 -177.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -76.0 153.1 36.88 Favored 'Trans proline' 0 C--N 1.349 0.563 0 CA-C-N 119.236 0.763 . . . . 25.0 112.88 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -117.37 127.99 54.59 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.365 0.876 . . . . 25.0 113.365 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 3.0 m -134.39 53.95 1.97 Allowed 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.899 0.857 . . . . 25.0 109.051 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -96.34 -164.82 33.48 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-N 115.644 -0.707 . . . . 25.0 112.54 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.57 -25.08 35.11 Favored 'Trans proline' 0 C--O 1.221 -0.331 0 CA-C-N 118.994 1.397 . . . . 25.0 115.06 -177.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -99.6 17.95 19.2 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.643 0.735 . . . . 25.0 110.937 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 15.6 p -69.58 146.1 52.02 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 115.153 1.538 . . . . 25.0 115.153 -172.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 8.9 m -134.89 163.62 49.93 Favored Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 102.619 -3.104 . . . . 25.0 102.619 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -58.31 -25.36 72.33 Favored 'Trans proline' 0 C--N 1.351 0.703 0 N-CA-C 115.678 1.376 . . . . 25.0 115.678 -176.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -104.42 28.47 14.92 Favored Glycine 0 C--O 1.225 -0.408 0 C-N-CA 120.743 -0.741 . . . . 25.0 113.798 178.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -85.13 133.75 34.2 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 122.011 -0.7 . . . . 25.0 110.795 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 60.4 mt -135.62 139.18 43.6 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.518 -1.29 . . . . 25.0 107.518 -178.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -88.21 101.26 13.66 Favored 'General case' 0 C--N 1.312 -1.06 0 O-C-N 121.144 -0.972 . . . . 25.0 109.513 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -74.29 -29.09 61.49 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-N 115.968 -0.56 . . . . 25.0 110.404 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -34.72 78.37 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.209 -1.034 . . . . 25.0 108.209 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 8.0 t -77.01 -32.18 56.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.388 -1.278 . . . . 25.0 112.188 -177.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -51.83 -41.12 61.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.255 0.55 . . . . 25.0 112.052 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 9.6 t -47.83 -30.94 4.45 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 115.871 1.804 . . . . 25.0 115.871 173.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 9.1 t -115.78 -8.3 12.0 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.281 1.215 . . . . 25.0 114.281 -179.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -152.99 136.16 15.65 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.324 0.49 . . . . 25.0 112.324 -178.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 1.5 pt? . . . . . 0 N--CA 1.467 0.393 0 N-CA-C 105.622 -1.992 . . . . 25.0 105.622 178.257 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 119.724 -0.179 . . . . 25.0 111.233 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.76 -57.17 4.29 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.234 0.54 . . . . 25.0 109.883 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 22.3 ptp -57.74 -25.46 60.44 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.674 -0.81 . . . . 25.0 111.091 178.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -54.45 36.16 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.545 -0.752 . . . . 25.0 110.791 179.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -72.78 -31.67 65.04 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.246 -0.434 . . . . 25.0 110.001 -177.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -59.11 -48.65 80.84 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.476 -0.564 . . . . 25.0 109.476 174.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -65.27 -45.37 84.79 Favored 'General case' 0 CA--C 1.508 -0.635 0 O-C-N 122.252 -0.28 . . . . 25.0 110.511 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -62.46 -39.24 92.76 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.554 0.575 . . . . 25.0 112.554 -178.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 44.5 m -66.86 -43.96 82.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 118.198 0.454 . . . . 25.0 110.842 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -41.19 97.42 Favored 'General case' 0 C--O 1.208 -1.11 0 N-CA-C 108.597 -0.89 . . . . 25.0 108.597 177.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.42 -32.52 71.54 Favored 'General case' 0 C--O 1.22 -0.498 0 N-CA-C 112.798 0.666 . . . . 25.0 112.798 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -67.19 -37.3 83.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.058 0.456 . . . . 25.0 110.371 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -87.21 -35.79 18.35 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.016 -0.538 . . . . 25.0 110.09 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 759' ' ' ASP . . . . . 0.469 ' HA ' HD21 ' A' ' 766' ' ' LEU . 57.0 t0 -88.57 69.68 8.87 Favored 'General case' 0 CA--C 1.502 -0.897 0 CA-C-O 122.613 1.197 . . . . 25.0 108.457 -179.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 27.3 mtp-105 -75.44 -1.99 26.61 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 113.964 -1.471 . . . . 25.0 110.913 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -95.26 -11.41 27.99 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 107.722 -1.214 . . . . 25.0 107.722 178.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 53.22 36.28 22.2 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 114.474 -1.239 . . . . 25.0 111.849 -178.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 45.2 t -69.13 -27.35 65.48 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.902 -1.045 . . . . 25.0 110.572 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 94.63 1.63 63.74 Favored Glycine 0 C--O 1.241 0.561 0 N-CA-C 109.003 -1.639 . . . . 25.0 109.003 -177.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -149.56 154.94 39.5 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 123.536 0.734 . . . . 25.0 109.189 -175.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 766' ' ' LEU . . . . . 0.469 HD21 ' HA ' ' A' ' 759' ' ' ASP . 14.5 mt -137.2 173.43 11.7 Favored 'General case' 0 CA--C 1.503 -0.844 0 N-CA-C 108.1 -1.074 . . . . 25.0 108.1 177.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.65 171.01 54.53 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 109.025 -1.63 . . . . 25.0 109.025 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -66.98 -34.05 30.49 Favored 'Trans proline' 0 C--O 1.221 -0.36 0 CA-C-N 118.499 1.15 . . . . 25.0 112.176 -178.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -74.42 -37.41 63.33 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.099 0.476 . . . . 25.0 111.029 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 82.0 mm-40 -64.28 -55.02 24.27 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.719 -0.474 . . . . 25.0 109.719 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 771' ' ' PHE . . . . . 0.455 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.4 OUTLIER -58.01 -33.52 69.04 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 112.677 0.621 . . . . 25.0 112.677 174.688 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -60.79 -46.99 88.34 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.056 0.844 . . . . 25.0 110.487 176.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -73.42 -24.21 60.23 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.467 0.651 . . . . 25.0 111.016 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 50.1 t -64.86 -35.1 80.05 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.726 -0.842 . . . . 25.0 108.726 176.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 10.6 mt -66.11 -33.94 76.92 Favored 'General case' 0 C--O 1.21 -0.983 0 CA-C-O 121.083 0.468 . . . . 25.0 109.983 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.99 -32.75 48.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 121.125 0.488 . . . . 25.0 110.301 -177.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 16.1 m -62.96 -20.73 65.53 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.158 0.429 . . . . 25.0 112.158 178.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 19.2 mt -92.61 -20.55 20.76 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.192 -0.458 . . . . 25.0 110.463 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 121.39 30.97 1.21 Allowed Glycine 0 N--CA 1.463 0.497 0 CA-C-N 115.802 -0.636 . . . . 25.0 114.563 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -98.58 143.34 29.09 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 105.628 -1.99 . . . . 25.0 105.628 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -101.78 31.07 4.01 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.723 0.773 . . . . 25.0 110.861 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 77.8 mt . . . . . 0 C--N 1.326 -0.448 0 N-CA-C 105.285 -2.117 . . . . 25.0 105.285 -178.202 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -1.289 0 N-CA-C 108.985 -1.646 . . . . 25.0 108.985 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.82 -33.36 70.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 118.441 1.12 . . . . 25.0 111.924 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -62.54 -38.29 89.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.444 -0.344 . . . . 25.0 111.055 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -92.89 -20.47 20.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.856 0.836 . . . . 25.0 111.561 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.56 -33.31 70.98 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 107.251 -1.388 . . . . 25.0 107.251 175.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -60.01 -33.38 71.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.467 -0.333 . . . . 25.0 111.663 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -82.12 -28.4 32.25 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.419 HG23 ' CE2' ' A' ' 815' ' ' PHE . 52.4 mt -69.43 -50.77 48.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.791 -0.448 . . . . 25.0 109.791 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 27.3 ptm -60.59 -31.67 70.81 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-O 120.781 0.325 . . . . 25.0 110.943 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 71.2 m -67.76 -20.31 65.21 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.402 0.519 . . . . 25.0 112.402 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 69.2 mt -95.19 -47.65 13.08 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.6 0 CA-C-O 121.131 0.491 . . . . 25.0 111.088 -177.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 31.5 m -76.27 -14.4 14.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.98 -0.554 . . . . 25.0 111.741 -177.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -154.08 68.53 6.05 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-O 121.725 0.774 . . . . 25.0 110.842 -176.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -70.94 -13.11 31.5 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 117.309 -1.327 . . . . 25.0 112.555 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.19 -7.86 57.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 25.0 111.793 -177.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 58.47 47.2 13.94 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 121.644 0.735 . . . . 25.0 111.2 -178.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 85.5 mt -70.98 -25.36 62.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.737 -1.12 . . . . 25.0 108.05 175.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 88.43 20.23 49.24 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.253 -0.885 . . . . 25.0 111.798 178.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 6.1 m -145.16 152.54 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 CA-C-N 117.137 0.469 . . . . 25.0 110.405 -176.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 14.1 t -130.74 131.48 64.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.908 -0.775 . . . . 25.0 108.908 179.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.2 161.36 13.85 Favored 'General case' 0 CA--C 1.502 -0.88 0 N-CA-C 109.305 -0.628 . . . . 25.0 109.305 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -53.65 -42.91 68.33 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 115.203 -0.908 . . . . 25.0 110.053 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -21.12 59.61 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 121.756 -0.59 . . . . 25.0 109.714 -174.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -76.93 -41.78 42.03 Favored 'General case' 0 C--O 1.215 -0.731 0 C-N-CA 120.373 -0.531 . . . . 25.0 111.225 -178.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.436 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 0.9 OUTLIER -67.59 -30.53 70.16 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 118.742 -1.183 . . . . 25.0 109.65 177.066 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 17.1 mm -64.05 -26.84 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-O 121.362 0.601 . . . . 25.0 109.968 177.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.56 -49.99 75.32 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.275 -0.639 . . . . 25.0 109.275 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 815' ' ' PHE . . . . . 0.436 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.8 p90 . . . . . 0 C--O 1.209 -1.049 0 C-N-CA 119.005 -1.078 . . . . 25.0 111.321 -177.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . 0.41 ' HE1' ' O ' ' A' ' 879' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.59 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.74 -41.73 91.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.933 -0.576 . . . . 25.0 110.409 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 60.1 p -60.22 -41.37 92.93 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.17 0.433 . . . . 25.0 112.17 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -68.45 -34.32 75.75 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.798 -0.564 . . . . 25.0 109.763 -179.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -68.2 -21.32 64.87 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.59 0.589 . . . . 25.0 112.59 -178.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 72.5 mt -83.78 -39.66 15.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 108.599 -0.889 . . . . 25.0 108.599 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.72 -29.83 25.24 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.052 -0.659 . . . . 25.0 111.758 -175.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.625 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -108.59 17.35 22.09 Favored 'General case' 0 C--O 1.205 -1.266 0 CA-C-N 115.707 -0.679 . . . . 25.0 112.424 -178.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -58.12 -24.97 56.21 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 109.21 -1.556 . . . . 25.0 109.21 171.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -67.79 -25.33 65.54 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.897 0.703 . . . . 25.0 112.897 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -128.5 178.51 6.24 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 118.776 0.717 . . . . 25.0 111.119 -176.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -102.89 14.73 31.26 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.859 -0.793 . . . . 25.0 108.859 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -159.43 175.82 12.86 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.296 -1.001 . . . . 25.0 108.296 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . 0.625 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.5 OUTLIER -136.77 155.27 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 N-CA-C 108.09 -1.078 . . . . 25.0 108.09 -178.015 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 37.4 p -103.68 158.14 16.58 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.543 0.687 . . . . 25.0 109.811 172.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 72.4 mtm -58.81 -36.49 74.57 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.554 -1.203 . . . . 25.0 109.931 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -68.57 -35.9 78.03 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.716 -0.675 . . . . 25.0 112.265 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -71.62 -46.37 59.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 122.234 -0.291 . . . . 25.0 111.455 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.2 pp -68.38 -26.53 65.61 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.607 -0.437 . . . . 25.0 110.039 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 22.5 mtt-85 -64.79 -12.76 51.24 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.06 0.763 . . . . 25.0 113.06 177.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 4.1 ptp85 -79.74 -29.46 40.58 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.102 0.477 . . . . 25.0 110.544 177.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -82.6 -37.93 24.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.472 -0.785 . . . . 25.0 110.13 -172.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.94 79.04 69.4 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 108.483 -0.932 . . . . 25.0 108.483 176.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -54.53 -33.26 77.64 Favored 'Trans proline' 0 CA--C 1.55 1.304 0 N-CA-C 118.69 2.535 . . . . 25.0 118.69 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -77.03 -166.74 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 C-N-CA 114.667 -3.089 . . . . 25.0 112.792 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -51.88 -16.54 0.73 Allowed 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.953 1.464 . . . . 25.0 114.953 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -52.98 -35.81 59.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.923 -0.486 . . . . 25.0 111.365 176.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -65.81 -39.7 91.16 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 120.799 -0.361 . . . . 25.0 111.338 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -65.21 -42.23 93.68 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.588 -0.893 . . . . 25.0 108.588 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -65.86 -29.32 69.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.792 -0.64 . . . . 25.0 110.283 177.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 36.5 m -73.16 -40.84 64.52 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 109.658 -0.497 . . . . 25.0 109.658 178.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 19.8 mt -64.08 -37.28 79.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.069 -0.715 . . . . 25.0 109.069 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -68.16 -13.54 62.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.096 -0.502 . . . . 25.0 111.937 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -107.45 -33.25 7.41 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 112.819 0.674 . . . . 25.0 112.819 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 6.1 ttm -66.87 160.77 25.39 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 113.268 0.84 . . . . 25.0 113.268 -175.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -86.33 142.82 35.86 Favored Pre-proline 0 C--N 1.319 -0.744 0 N-CA-C 107.368 -1.345 . . . . 25.0 107.368 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -76.29 152.11 34.59 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 CA-C-N 118.69 0.568 . . . . 25.0 111.978 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -109.17 138.33 45.69 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 113.745 1.017 . . . . 25.0 113.745 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 59.4 m -140.26 123.62 16.93 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 105.14 -2.17 . . . . 25.0 105.14 172.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -177.94 -170.13 39.76 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.459 -0.876 . . . . 25.0 111.883 -177.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.72 -28.15 31.03 Favored 'Trans proline' 0 C--O 1.221 -0.338 0 CA-C-N 119.067 1.434 . . . . 25.0 114.494 -177.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -98.9 16.74 21.42 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.747 0.785 . . . . 25.0 109.832 -177.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 83.0 p -72.95 148.53 44.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 122.632 1.206 . . . . 25.0 113.524 -174.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 5.6 m -138.17 163.55 46.77 Favored Pre-proline 0 C--N 1.318 -0.779 0 N-CA-C 103.109 -2.922 . . . . 25.0 103.109 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.37 -7.91 21.49 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 116.949 -1.567 . . . . 25.0 115.381 -176.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -115.53 32.64 5.61 Favored Glycine 0 C--O 1.223 -0.566 0 N-CA-C 112.28 -0.328 . . . . 25.0 112.28 177.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -94.37 137.67 33.24 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.733 0.642 . . . . 25.0 112.733 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 49.4 mt -134.87 143.22 46.87 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 106.814 -1.55 . . . . 25.0 106.814 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -91.45 111.08 22.43 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 106.452 -1.685 . . . . 25.0 106.452 177.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . 0.41 ' O ' ' HE1' ' A' ' 830' ' ' MET . 8.6 p90 -84.79 -33.24 23.02 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-O 121.603 0.716 . . . . 25.0 109.439 -178.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 3.3 mtt -65.08 -24.31 67.42 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.766 -0.827 . . . . 25.0 108.766 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.8 t -89.96 -16.92 28.89 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.219 -0.901 . . . . 25.0 113.162 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -56.74 -39.1 73.35 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.141 0.793 . . . . 25.0 113.141 -177.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 24.4 m -58.2 -24.36 58.82 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.151 1.167 . . . . 25.0 114.151 178.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 14.7 t -109.09 -7.73 15.28 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.85 0.685 . . . . 25.0 112.85 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -153.71 127.6 8.89 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.232 0.456 . . . . 25.0 112.232 -177.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--N 1.325 -0.47 0 N-CA-C 106.188 -1.782 . . . . 25.0 106.188 177.671 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 . . . . . 0 N--CA 1.454 -0.24 0 CA-C-O 119.515 -0.278 . . . . 25.0 110.993 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.05 -55.85 7.38 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 121.247 0.546 . . . . 25.0 110.278 178.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 23.7 ptp -59.17 -26.27 64.64 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 119.566 -0.854 . . . . 25.0 110.385 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -56.37 20.31 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.052 -0.522 . . . . 25.0 109.778 178.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -72.0 -30.78 65.58 Favored 'General case' 0 C--O 1.215 -0.742 0 CA-C-N 116.674 -0.239 . . . . 25.0 110.881 -177.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -59.47 -50.45 73.88 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.917 -0.772 . . . . 25.0 108.917 175.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -65.25 -44.3 88.57 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 116.289 -0.414 . . . . 25.0 110.773 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -66.7 -37.93 85.73 Favored 'General case' 0 C--O 1.209 -1.034 0 N-CA-C 112.371 0.508 . . . . 25.0 112.371 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 43.4 m -69.09 -42.17 76.5 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 118.584 0.629 . . . . 25.0 111.21 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -41.74 98.21 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 107.942 -1.133 . . . . 25.0 107.942 176.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.92 -34.04 75.85 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.226 0.454 . . . . 25.0 112.226 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -69.38 -36.47 76.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.905 -0.497 . . . . 25.0 110.809 -177.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -84.65 -35.97 22.27 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 109.949 -0.389 . . . . 25.0 109.949 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -87.09 67.92 9.85 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-O 123.018 1.39 . . . . 25.0 108.385 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -72.29 -8.03 52.69 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 113.746 -1.57 . . . . 25.0 110.552 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -93.76 -0.14 56.05 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.671 -0.863 . . . . 25.0 108.671 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 20.5 p80 40.48 39.06 0.66 Allowed 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.252 1.421 . . . . 25.0 114.701 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 89.1 p -78.71 -19.5 52.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.671 -0.695 . . . . 25.0 111.306 -179.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 94.88 -1.31 65.38 Favored Glycine 0 C--O 1.242 0.603 0 N-CA-C 109.894 -1.282 . . . . 25.0 109.894 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 28.2 p -143.73 165.49 27.52 Favored 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 122.833 0.453 . . . . 25.0 110.755 -176.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 766' ' ' LEU . . . . . 0.483 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 15.2 mt -145.32 171.67 14.25 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 109.086 -0.709 . . . . 25.0 109.086 176.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.52 174.13 55.18 Favored Glycine 0 N--CA 1.451 -0.355 0 N-CA-C 111.002 -0.839 . . . . 25.0 111.002 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -68.78 -29.02 29.59 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 CA-C-N 118.601 1.2 . . . . 25.0 113.009 -176.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 63.9 tt0 -80.59 -37.91 30.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.059 0.457 . . . . 25.0 110.676 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -64.48 -54.12 37.52 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.089 -0.505 . . . . 25.0 110.882 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 771' ' ' PHE . . . . . 0.483 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -60.44 -28.07 68.01 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 113.198 0.814 . . . . 25.0 113.198 175.347 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -68.06 -44.88 75.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 118.628 0.649 . . . . 25.0 109.754 177.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -73.26 -24.41 60.44 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.293 0.568 . . . . 25.0 111.019 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 46.3 t -61.84 -35.35 77.99 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.161 -0.681 . . . . 25.0 109.161 175.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 16.2 mt -67.3 -33.04 74.44 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-O 120.816 0.341 . . . . 25.0 110.188 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.4 mt -59.04 -34.25 52.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 109.334 -0.617 . . . . 25.0 109.334 -177.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 15.7 m -64.1 -19.01 64.95 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.538 0.569 . . . . 25.0 112.538 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 18.8 mt -94.11 -18.12 22.1 Favored 'General case' 0 C--O 1.219 -0.536 0 O-C-N 123.81 0.693 . . . . 25.0 110.342 179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 115.26 35.32 1.34 Allowed Glycine 0 C--N 1.332 0.336 0 N-CA-C 114.924 0.73 . . . . 25.0 114.924 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -101.53 133.54 46.03 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.325 -0.991 . . . . 25.0 108.325 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -85.78 49.76 1.83 Allowed 'General case' 0 CA--C 1.546 0.825 0 CA-C-O 121.962 0.887 . . . . 25.0 110.158 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 52.4 mt . . . . . 0 C--N 1.328 -0.366 0 N-CA-C 108.567 -0.901 . . . . 25.0 108.567 -175.129 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.208 -1.476 0 N-CA-C 110.132 -1.187 . . . . 25.0 110.132 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.16 -35.95 76.47 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.697 -0.884 . . . . 25.0 110.798 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.02 85.86 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.409 -0.359 . . . . 25.0 111.471 -178.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -87.69 -25.99 23.21 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 121.761 0.791 . . . . 25.0 110.402 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -68.93 -35.09 76.4 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.821 -0.807 . . . . 25.0 108.821 178.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -60.8 -28.58 68.88 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-O 121.567 0.698 . . . . 25.0 111.165 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -79.34 -38.43 35.15 Favored 'General case' 0 CA--C 1.482 -1.653 0 CA-C-O 123.655 1.693 . . . . 25.0 111.06 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 57.5 mt -65.73 -47.75 84.8 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.404 0 CA-C-N 113.614 -1.63 . . . . 25.0 109.014 -176.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 25.8 ptm -62.98 -29.16 70.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.035 0.445 . . . . 25.0 110.657 -178.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 49.7 m -72.66 -17.73 61.63 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.891 0.33 . . . . 25.0 111.891 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 74.5 mt -95.19 -47.74 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.621 0 CA-C-O 121.07 0.462 . . . . 25.0 110.839 -177.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 33.2 m -74.81 -15.88 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.837 -0.62 . . . . 25.0 112.034 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -150.19 65.1 7.16 Favored Pre-proline 0 CA--C 1.541 0.627 0 N-CA-C 113.341 0.867 . . . . 25.0 113.341 -175.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -74.15 -5.46 17.01 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 117.543 -1.171 . . . . 25.0 111.528 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.77 -11.38 51.19 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.159 -0.473 . . . . 25.0 110.901 -178.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 60.12 47.44 9.48 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.82 0.848 . . . . 25.0 111.085 -177.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 89.1 mt -72.81 -26.46 61.51 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.997 -1.112 . . . . 25.0 107.997 175.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.01 18.25 61.49 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 114.907 -1.042 . . . . 25.0 110.927 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 13.9 m -149.18 158.06 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 109.713 -0.476 . . . . 25.0 109.713 -175.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 11.4 t -130.14 133.97 63.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.463 -0.569 . . . . 25.0 109.463 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.26 161.65 13.71 Favored 'General case' 0 CA--C 1.508 -0.66 0 N-CA-C 108.985 -0.746 . . . . 25.0 108.985 178.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -54.08 -41.24 68.01 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-O 121.787 0.804 . . . . 25.0 110.433 177.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -21.57 58.93 Favored 'General case' 0 C--N 1.316 -0.879 0 O-C-N 121.188 -0.945 . . . . 25.0 109.973 -175.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -75.8 -41.98 51.31 Favored 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 120.404 -0.518 . . . . 25.0 111.23 -177.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.8 -30.56 70.79 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 119.637 -0.825 . . . . 25.0 109.452 176.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 17.3 mm -64.81 -25.9 38.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 N-CA-C 109.663 -0.495 . . . . 25.0 109.663 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -63.15 -43.57 97.93 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 121.291 -0.881 . . . . 25.0 110.85 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.3 p90 . . . . . 0 C--N 1.328 -0.359 0 C-N-CA 119.022 -1.071 . . . . 25.0 111.355 177.33 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 9.5 tpt . . . . . 0 C--O 1.238 0.488 0 CA-C-O 121.529 0.68 . . . . 25.0 110.215 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -63.61 -36.22 83.1 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.697 -0.683 . . . . 25.0 110.405 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 57.7 p -61.89 -42.12 98.7 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 120.734 -0.386 . . . . 25.0 111.255 -178.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -64.66 -38.07 89.75 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 122.054 0.931 . . . . 25.0 110.07 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -69.32 -20.13 63.87 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.398 -0.819 . . . . 25.0 112.862 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 52.7 mt -81.25 -40.67 18.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 107.649 -1.241 . . . . 25.0 107.649 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.62 -31.63 24.13 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.849 -0.74 . . . . 25.0 111.654 -175.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.525 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -106.7 17.54 23.09 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 112.156 0.428 . . . . 25.0 112.156 -177.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -65.21 -8.71 38.22 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.75 -0.94 . . . . 25.0 110.75 173.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -80.64 -21.68 41.22 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 122.681 0.393 . . . . 25.0 110.021 175.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -129.82 -162.65 1.22 Allowed 'General case' 0 C--O 1.217 -0.651 0 CA-C-O 121.671 0.748 . . . . 25.0 110.69 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -120.21 11.71 11.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.217 -0.901 . . . . 25.0 108.727 178.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -157.59 173.35 16.99 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 107.117 -1.438 . . . . 25.0 107.117 -176.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . 0.525 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.9 OUTLIER -136.67 154.24 31.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 107.755 -1.202 . . . . 25.0 107.755 -176.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 40.6 p -102.33 160.67 14.33 Favored 'General case' 0 C--N 1.31 -1.135 0 O-C-N 120.869 -1.145 . . . . 25.0 109.021 173.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 74.3 mtm -59.75 -31.83 70.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.049 -0.978 . . . . 25.0 110.202 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -70.88 -42.66 69.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.312 0.577 . . . . 25.0 109.899 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -65.24 -45.72 83.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.272 -0.422 . . . . 25.0 111.889 -178.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.6 pp -71.15 -26.69 63.11 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.608 -0.837 . . . . 25.0 111.193 -177.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -71.75 -9.91 58.98 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.802 -0.561 . . . . 25.0 111.535 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . 0.433 ' HG2' ' HG2' ' A' ' 851' ' ' GLU . 6.0 ptm180 -71.06 -27.98 64.03 Favored 'General case' 0 C--O 1.221 -0.434 0 O-C-N 121.343 -0.848 . . . . 25.0 109.069 179.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . 0.433 ' HG2' ' HG2' ' A' ' 850' ' ' ARG . 13.4 mm-40 -83.8 -40.71 18.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.269 -0.878 . . . . 25.0 110.222 -176.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.81 82.03 65.58 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.372 -0.831 . . . . 25.0 109.409 -178.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -62.27 -26.85 77.58 Favored 'Trans proline' 0 CA--C 1.558 1.722 0 N-CA-C 118.635 2.514 . . . . 25.0 118.635 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -77.54 -162.62 0.18 Allowed 'Trans proline' 0 C--N 1.362 1.278 1 C-N-CA 113.249 -4.034 . . . . 25.0 111.953 177.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -55.51 -15.97 3.34 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 114.883 1.438 . . . . 25.0 114.883 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 22.4 mm100 -51.36 -38.58 53.99 Favored 'General case' 0 C--O 1.218 -0.556 0 O-C-N 121.867 -0.52 . . . . 25.0 111.485 174.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -66.31 -37.97 86.65 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 122.047 -0.408 . . . . 25.0 111.406 177.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -68.05 -38.85 82.94 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.144 -0.688 . . . . 25.0 109.144 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -65.62 -31.03 71.83 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.195 -0.669 . . . . 25.0 109.195 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 59.2 m -72.8 -42.66 63.67 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 109.887 -0.412 . . . . 25.0 109.887 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 23.8 mt -62.1 -38.49 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 109.572 -0.529 . . . . 25.0 109.572 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -63.84 -17.91 63.62 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.557 0.577 . . . . 25.0 112.557 177.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -109.01 -22.72 12.03 Favored 'General case' 0 C--O 1.219 -0.553 0 O-C-N 121.497 -0.752 . . . . 25.0 112.843 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 6.9 ttm -68.4 164.68 20.4 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-O 121.104 0.478 . . . . 25.0 111.356 -177.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -95.4 145.68 29.97 Favored Pre-proline 0 N--CA 1.44 -0.967 0 N-CA-C 107.023 -1.473 . . . . 25.0 107.023 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -75.85 154.58 38.66 Favored 'Trans proline' 0 CA--C 1.52 -0.185 0 CA-C-N 118.665 0.559 . . . . 25.0 112.331 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -112.38 131.4 55.56 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.188 0.518 . . . . 25.0 110.768 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 5.0 t -137.28 40.97 2.45 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 122.402 1.096 . . . . 25.0 108.313 -177.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -90.35 -170.48 43.7 Favored Glycine 0 C--O 1.227 -0.329 0 CA-C-N 115.38 -0.827 . . . . 25.0 114.085 -177.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -68.99 -30.31 26.06 Favored 'Trans proline' 0 C--O 1.217 -0.536 0 CA-C-N 118.319 1.059 . . . . 25.0 114.73 -178.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -98.95 28.68 4.22 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.77 0.795 . . . . 25.0 109.305 -177.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 59.7 p -77.19 152.35 34.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.962 0.887 . . . . 25.0 113.368 -175.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 13.7 m -136.61 161.75 60.12 Favored Pre-proline 0 C--N 1.318 -0.8 0 N-CA-C 105.227 -2.138 . . . . 25.0 105.227 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -58.71 -17.38 35.48 Favored 'Trans proline' 0 C--N 1.353 0.77 0 N-CA-C 115.733 1.397 . . . . 25.0 115.733 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -114.14 32.5 5.92 Favored Glycine 0 C--O 1.23 -0.128 0 C-N-CA 121.742 -0.266 . . . . 25.0 113.107 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -93.34 139.84 30.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.295 0.569 . . . . 25.0 112.152 -177.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 76.6 mt -136.39 141.88 43.7 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.401 -0.963 . . . . 25.0 108.401 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -89.9 104.39 16.96 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 106.418 -1.697 . . . . 25.0 106.418 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -78.61 -33.37 47.45 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.403 -0.817 . . . . 25.0 108.993 -177.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 11.1 ttp -62.78 -30.2 71.28 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.871 -0.788 . . . . 25.0 108.871 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 8.1 t -81.97 -24.36 35.54 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.075 -0.966 . . . . 25.0 112.646 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -56.76 -41.06 76.94 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 122.094 -0.379 . . . . 25.0 111.725 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 22.0 t -55.04 -19.99 8.37 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.723 1.008 . . . . 25.0 113.723 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 31.1 p -108.74 -17.63 13.9 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 114.059 1.133 . . . . 25.0 114.059 -177.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -156.93 142.43 17.49 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 -177.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.6 pt? . . . . . 0 C--O 1.222 -0.392 0 N-CA-C 107.57 -1.27 . . . . 25.0 107.57 177.034 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 . . . . . 0 C--O 1.223 -0.319 0 N-CA-C 110.661 -0.126 . . . . 25.0 110.661 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.43 -57.36 3.99 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.438 0.637 . . . . 25.0 110.092 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 24.8 ptp -57.59 -24.29 55.48 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.595 -0.691 . . . . 25.0 110.533 177.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.05 -56.17 21.7 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 110.221 -0.288 . . . . 25.0 110.221 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.92 -34.55 73.62 Favored 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 109.965 -0.383 . . . . 25.0 109.965 -177.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -59.73 -49.07 79.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.519 0.676 . . . . 25.0 110.131 176.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -67.4 -44.09 79.68 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 116.332 -0.395 . . . . 25.0 110.002 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.0 89.49 Favored 'General case' 0 C--O 1.209 -1.05 0 CA-C-O 119.385 -0.341 . . . . 25.0 111.324 -177.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 51.1 m -67.57 -44.36 78.39 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 118.406 0.548 . . . . 25.0 111.19 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -41.44 97.0 Favored 'General case' 0 C--O 1.206 -1.201 0 N-CA-C 108.591 -0.892 . . . . 25.0 108.591 176.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.73 -31.58 69.64 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 112.817 0.673 . . . . 25.0 112.817 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -68.13 -32.72 73.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.854 -0.529 . . . . 25.0 110.178 -178.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -91.1 -38.69 12.6 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 109.1 -0.704 . . . . 25.0 109.1 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -89.84 69.57 7.56 Favored 'General case' 0 CA--C 1.498 -1.019 0 CA-C-O 122.506 1.146 . . . . 25.0 109.657 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -78.74 -0.87 31.99 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.357 -1.292 . . . . 25.0 110.766 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -92.27 -11.52 35.03 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.657 -0.868 . . . . 25.0 108.657 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 54.02 38.14 28.31 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.243 1.017 . . . . 25.0 111.159 -178.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 33.8 t -70.63 -23.51 62.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 122.298 1.046 . . . . 25.0 109.541 177.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 88.52 0.61 81.91 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 109.663 -1.375 . . . . 25.0 109.663 -178.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 5.9 p -148.16 159.8 43.57 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 108.557 -0.905 . . . . 25.0 108.557 -176.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 766' ' ' LEU . . . . . 0.481 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 16.0 mt -141.76 172.72 12.3 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 108.401 -0.962 . . . . 25.0 108.401 177.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -78.04 172.7 55.21 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.268 -0.733 . . . . 25.0 111.268 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -66.88 -30.13 40.56 Favored 'Trans proline' 0 C--O 1.224 -0.201 0 CA-C-N 118.636 1.218 . . . . 25.0 112.512 -177.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -82.28 -36.99 26.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.169 0.509 . . . . 25.0 111.249 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.03 -54.33 39.89 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 121.193 0.52 . . . . 25.0 110.218 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 771' ' ' PHE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.4 OUTLIER -60.79 -30.75 70.23 Favored 'General case' 0 C--O 1.214 -0.804 0 N-CA-C 113.071 0.767 . . . . 25.0 113.071 174.865 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -64.16 -44.66 91.39 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 118.829 0.741 . . . . 25.0 109.633 177.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -74.17 -23.55 59.25 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.6 0.714 . . . . 25.0 111.843 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 42.1 t -63.35 -35.96 82.12 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.482 -0.933 . . . . 25.0 108.482 175.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 17.1 mt -65.73 -32.91 74.73 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 120.885 0.374 . . . . 25.0 110.845 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 65.3 mt -59.18 -33.55 50.97 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 N-CA-C 109.581 -0.526 . . . . 25.0 109.581 -177.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 16.4 m -65.2 -18.25 65.16 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.608 0.596 . . . . 25.0 112.608 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 22.8 mt -94.7 -18.05 21.65 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-O 121.725 0.774 . . . . 25.0 110.404 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 115.47 35.48 1.29 Allowed Glycine 0 C--N 1.329 0.171 0 CA-C-N 115.121 -0.945 . . . . 25.0 114.93 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -101.24 134.2 44.65 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.764 -0.828 . . . . 25.0 108.764 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -85.08 48.74 1.61 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.913 0.885 . . . . 25.0 110.86 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 41.5 mt . . . . . 0 C--N 1.327 -0.408 0 N-CA-C 107.971 -1.122 . . . . 25.0 107.971 -174.174 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.206 -1.601 0 N-CA-C 108.704 -1.758 . . . . 25.0 108.704 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -60.34 -34.81 74.36 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.55 -0.971 . . . . 25.0 112.096 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.5 -36.8 84.98 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.762 -0.199 . . . . 25.0 111.35 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -88.76 -28.5 20.45 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.474 0.654 . . . . 25.0 110.956 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -66.87 -34.5 77.93 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.338 -0.986 . . . . 25.0 108.338 178.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -60.37 -29.1 68.71 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.464 0.649 . . . . 25.0 110.796 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -79.78 -39.79 30.14 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.025 -1.102 . . . . 25.0 108.025 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 58.4 mt -63.72 -49.95 79.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 114.831 -1.077 . . . . 25.0 110.584 -176.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 5.6 ptt? -60.73 -24.77 65.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.035 0.445 . . . . 25.0 111.99 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 50.8 m -78.6 -18.39 54.64 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.987 0.423 . . . . 25.0 111.453 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 63.8 mt -94.23 -49.56 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.718 0 CA-C-O 121.294 0.569 . . . . 25.0 110.29 -178.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 22.0 m -76.4 -11.94 14.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.724 -0.671 . . . . 25.0 112.731 -176.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -153.04 68.71 6.75 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.565 -0.743 . . . . 25.0 111.705 -177.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -74.43 -12.73 22.83 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 116.848 -1.635 . . . . 25.0 112.133 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.85 -5.49 59.23 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 120.97 0.414 . . . . 25.0 110.918 -177.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 57.76 45.1 19.32 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 121.929 0.871 . . . . 25.0 112.427 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 85.1 mt -70.13 -23.41 63.01 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.406 -1.27 . . . . 25.0 108.695 176.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 84.52 18.43 62.12 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.324 -0.853 . . . . 25.0 111.396 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 11.1 m -147.07 159.42 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 109.331 -0.618 . . . . 25.0 109.331 -175.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 16.8 t -131.71 135.23 59.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 123.265 0.626 . . . . 25.0 109.442 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 9.0 t -100.56 158.92 15.57 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.522 -0.547 . . . . 25.0 109.522 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -50.52 -45.92 56.94 Favored 'General case' 0 C--O 1.22 -0.447 0 CA-C-O 121.611 0.719 . . . . 25.0 111.421 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -22.11 62.12 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.037 -0.665 . . . . 25.0 110.34 -175.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -75.79 -40.09 55.76 Favored 'General case' 0 C--O 1.217 -0.653 0 C-N-CA 119.728 -0.789 . . . . 25.0 111.491 -177.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.439 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.0 OUTLIER -68.66 -31.87 71.31 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.114 -0.991 . . . . 25.0 110.012 177.43 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 18.1 mm -63.3 -27.92 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-O 121.428 0.633 . . . . 25.0 109.816 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -61.08 -42.51 98.63 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 121.523 -0.735 . . . . 25.0 110.817 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 815' ' ' PHE . . . . . 0.439 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.1 p90 . . . . . 0 C--N 1.327 -0.389 0 C-N-CA 119.345 -0.942 . . . . 25.0 112.267 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.593 0 N-CA-C 109.263 -0.643 . . . . 25.0 109.263 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.99 96.09 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.091 -0.337 . . . . 25.0 110.091 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 8.6 t -59.91 -47.52 85.42 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 121.011 -0.276 . . . . 25.0 110.929 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -62.14 -41.44 98.27 Favored 'General case' 0 C--O 1.202 -1.439 0 C-N-CA 119.962 -0.695 . . . . 25.0 109.368 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -57.33 -26.03 60.3 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.914 0.709 . . . . 25.0 112.914 -176.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 46.3 mt -74.82 -45.17 44.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.786 -0.45 . . . . 25.0 109.786 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.93 -26.03 27.49 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.757 0.789 . . . . 25.0 112.148 -176.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.647 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -85.07 -12.63 52.57 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.864 -0.607 . . . . 25.0 112.615 -176.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -56.54 -22.88 40.7 Favored Glycine 0 CA--C 1.526 0.729 0 O-C-N 123.817 0.698 . . . . 25.0 114.292 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.49 -20.94 64.63 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 120.807 0.337 . . . . 25.0 111.045 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -132.6 -156.94 0.78 Allowed 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 108.08 -1.081 . . . . 25.0 108.08 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -125.87 18.01 7.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.359 0.6 . . . . 25.0 109.643 174.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -160.15 177.57 10.55 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 106.94 -1.504 . . . . 25.0 106.94 -178.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . 0.647 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.3 OUTLIER -134.63 151.35 31.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 107.871 -1.159 . . . . 25.0 107.871 -177.552 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 67.3 p -98.59 159.96 14.6 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 119.822 -0.751 . . . . 25.0 109.822 173.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 71.7 mtm -57.85 -31.84 67.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.765 -1.107 . . . . 25.0 111.906 176.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -73.83 -40.73 63.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.526 0.679 . . . . 25.0 110.73 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -64.88 -47.37 78.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.969 -0.559 . . . . 25.0 111.27 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.9 pp -65.92 -26.4 67.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.399 -0.813 . . . . 25.0 111.077 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -74.85 -11.42 60.14 Favored 'General case' 0 C--O 1.221 -0.405 0 O-C-N 121.831 -0.543 . . . . 25.0 110.714 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.53 -26.89 61.92 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 109.115 -0.698 . . . . 25.0 109.115 176.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -86.19 -43.45 12.99 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.931 -0.577 . . . . 25.0 110.661 -176.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.69 79.66 71.43 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.619 -0.719 . . . . 25.0 109.322 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -59.7 -27.39 84.83 Favored 'Trans proline' 0 CA--C 1.551 1.327 0 N-CA-C 119.329 2.781 . . . . 25.0 119.329 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -75.71 -165.03 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 113.939 -3.574 . . . . 25.0 112.534 177.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -52.33 -16.2 0.8 Allowed 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.616 1.339 . . . . 25.0 114.616 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -54.07 -37.36 64.12 Favored 'General case' 0 C--O 1.214 -0.801 0 O-C-N 121.494 -0.754 . . . . 25.0 110.813 174.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.37 -38.67 92.07 Favored 'General case' 0 C--O 1.209 -1.056 0 N-CA-C 110.383 -0.228 . . . . 25.0 110.383 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -69.53 -37.03 76.94 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.325 0.583 . . . . 25.0 109.774 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -67.27 -32.78 74.02 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.306 -0.998 . . . . 25.0 108.306 176.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 60.3 m -72.79 -42.26 64.11 Favored 'General case' 0 C--O 1.207 -1.164 0 N-CA-C 109.878 -0.415 . . . . 25.0 109.878 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 20.0 mt -62.07 -41.82 92.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.588 -0.893 . . . . 25.0 108.588 178.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -62.75 -27.19 69.11 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 112.159 0.429 . . . . 25.0 112.159 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -99.22 -18.23 17.73 Favored 'General case' 0 C--O 1.209 -1.05 0 N-CA-C 112.877 0.695 . . . . 25.0 112.877 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 9.3 ttm -75.28 166.3 23.84 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 118.498 0.59 . . . . 25.0 111.264 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -96.65 145.71 30.05 Favored Pre-proline 0 C--N 1.321 -0.658 0 N-CA-C 107.557 -1.275 . . . . 25.0 107.557 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -75.7 148.94 33.26 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 120.655 0.904 . . . . 25.0 112.853 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -112.55 123.08 49.49 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 113.782 1.03 . . . . 25.0 113.782 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 70.5 p -126.1 43.75 3.01 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 109.303 -0.628 . . . . 25.0 109.303 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -87.53 -169.82 45.87 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 121.347 -0.454 . . . . 25.0 113.497 -177.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -71.61 -21.96 24.93 Favored 'Trans proline' 0 C--N 1.348 0.513 0 CA-C-N 118.757 1.279 . . . . 25.0 114.876 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -103.73 21.6 15.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 122.08 0.943 . . . . 25.0 109.075 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 25.2 p -73.5 149.94 41.93 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 122.606 1.193 . . . . 25.0 113.566 -172.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 17.0 m -132.39 161.92 60.17 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 103.319 -2.845 . . . . 25.0 103.319 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -57.28 -23.0 51.97 Favored 'Trans proline' 0 C--N 1.35 0.611 0 N-CA-C 115.945 1.479 . . . . 25.0 115.945 -177.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -109.03 33.95 5.84 Favored Glycine 0 C--O 1.222 -0.629 0 C-N-CA 121.532 -0.366 . . . . 25.0 113.618 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -91.31 138.49 31.55 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 113.135 0.791 . . . . 25.0 113.135 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 66.1 mt -135.88 138.6 42.62 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.434 -0.951 . . . . 25.0 108.434 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -89.05 101.56 14.21 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 106.6 -1.629 . . . . 25.0 106.6 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -71.56 -36.03 70.81 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 114.637 -1.165 . . . . 25.0 109.359 -177.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.46 -26.72 67.33 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.219 0.533 . . . . 25.0 110.096 -177.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 4.6 t -84.8 -16.0 42.95 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 -178.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -57.68 -38.38 75.05 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.838 0.351 . . . . 25.0 111.271 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.13 -18.68 3.97 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 114.434 1.272 . . . . 25.0 114.434 174.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 37.0 p -109.42 -14.17 14.47 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 114.605 1.335 . . . . 25.0 114.605 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -158.49 150.42 21.42 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.732 1.012 . . . . 25.0 113.732 -176.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 C--N 1.326 -0.445 0 N-CA-C 105.047 -2.205 . . . . 25.0 105.047 177.863 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 . . . . . 0 C--O 1.218 -0.566 0 CA-C-O 121.39 0.614 . . . . 25.0 111.35 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.52 -55.89 13.43 Favored 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 108.718 -0.845 . . . . 25.0 108.718 177.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 21.4 ptp -59.66 -23.95 63.49 Favored 'General case' 0 C--O 1.21 -1.015 0 C-N-CA 119.548 -0.861 . . . . 25.0 111.318 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.91 -55.69 23.81 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.939 -0.763 . . . . 25.0 108.939 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.01 -34.73 75.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.888 0.313 . . . . 25.0 110.694 -178.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -59.3 -50.23 74.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.053 -0.405 . . . . 25.0 110.666 175.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -66.71 -41.74 87.48 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 109.456 -0.572 . . . . 25.0 109.456 -178.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.87 -39.63 90.9 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 112.375 0.509 . . . . 25.0 112.375 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 48.8 m -66.95 -43.53 82.9 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 118.4 0.546 . . . . 25.0 109.958 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -41.88 97.4 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 108.569 -0.9 . . . . 25.0 108.569 177.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.0 -33.91 76.6 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.946 0.721 . . . . 25.0 112.946 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -69.4 -37.06 77.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.429 0.633 . . . . 25.0 110.266 -178.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -84.81 -35.92 22.0 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 108.472 -0.936 . . . . 25.0 108.472 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -94.33 70.84 3.77 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 122.616 1.198 . . . . 25.0 109.453 -178.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 20.8 mtm105 -80.69 1.05 31.73 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.302 -1.317 . . . . 25.0 110.361 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -94.89 -10.86 29.94 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.201 -1.407 . . . . 25.0 107.201 177.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 51.43 39.04 23.53 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.745 1.218 . . . . 25.0 112.353 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 15.7 m -71.99 -23.12 61.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.568 -0.742 . . . . 25.0 109.745 177.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 90.93 2.05 72.27 Favored Glycine 0 C--O 1.239 0.428 0 N-CA-C 109.136 -1.586 . . . . 25.0 109.136 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -150.65 156.18 40.83 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 123.702 0.801 . . . . 25.0 108.876 -175.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 766' ' ' LEU . . . . . 0.459 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 22.6 mt -137.36 174.55 10.48 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 107.4 -1.333 . . . . 25.0 107.4 176.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -84.5 -178.66 51.38 Favored Glycine 0 C--O 1.241 0.585 0 N-CA-C 111.331 -0.707 . . . . 25.0 111.331 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.4 -27.79 22.97 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 121.623 1.548 . . . . 25.0 114.096 -175.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -85.83 -37.74 18.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.052 0.453 . . . . 25.0 110.007 -178.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -66.78 -50.76 61.65 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 116.01 -0.541 . . . . 25.0 111.077 -178.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 771' ' ' PHE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -62.3 -32.53 73.28 Favored 'General case' 0 C--O 1.213 -0.852 0 C-N-CA 120.222 -0.591 . . . . 25.0 112.096 173.769 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -62.67 -44.62 95.8 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 118.682 0.674 . . . . 25.0 110.097 177.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -73.63 -24.88 60.08 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.073 0.463 . . . . 25.0 110.322 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 45.4 t -62.93 -35.3 79.63 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.537 -0.542 . . . . 25.0 109.537 178.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 14.5 mt -66.75 -31.22 71.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.691 -0.686 . . . . 25.0 111.964 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 66.3 mt -59.42 -34.61 54.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 O-C-N 121.645 -0.659 . . . . 25.0 109.928 -177.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.41 -21.66 64.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.986 -0.552 . . . . 25.0 112.118 178.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 14.9 mt -94.16 -16.36 23.79 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 123.492 0.495 . . . . 25.0 110.906 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 117.6 30.65 1.8 Allowed Glycine 0 C--O 1.218 -0.845 0 CA-C-N 116.052 -0.522 . . . . 25.0 114.353 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -99.36 131.83 45.11 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 109.461 -0.57 . . . . 25.0 109.461 -177.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -83.97 46.9 1.24 Allowed 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 122.341 1.067 . . . . 25.0 110.588 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 29.6 mt . . . . . 0 C--O 1.221 -0.428 0 N-CA-C 107.498 -1.297 . . . . 25.0 107.498 -175.375 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.207 -1.554 0 N-CA-C 109.023 -1.631 . . . . 25.0 109.023 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.51 -35.77 78.63 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 121.636 -0.92 . . . . 25.0 111.831 177.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.21 -38.56 91.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.742 0.306 . . . . 25.0 111.263 -179.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -87.13 -28.44 22.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.242 0.544 . . . . 25.0 110.729 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -31.61 72.47 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.402 -0.962 . . . . 25.0 108.402 177.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -60.33 -28.7 68.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.654 0.74 . . . . 25.0 110.753 177.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -77.6 -42.28 35.62 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 108.312 -0.995 . . . . 25.0 108.312 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.422 HG23 ' CE2' ' A' ' 815' ' ' PHE . 68.3 mt -64.15 -49.86 79.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 114.079 -1.419 . . . . 25.0 110.49 -174.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 16.3 ptt? -61.33 -25.15 66.95 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 116.579 -0.282 . . . . 25.0 111.616 -178.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 49.9 m -76.83 -19.61 57.33 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 116.561 -0.29 . . . . 25.0 111.539 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 77.8 mt -92.45 -49.34 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-O 121.767 0.794 . . . . 25.0 109.718 -178.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 18.8 m -76.18 -13.21 14.73 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 CA-C-N 115.175 -0.92 . . . . 25.0 112.888 -176.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -154.14 68.15 5.91 Favored Pre-proline 0 C--O 1.25 1.094 0 CA-C-N 115.306 -0.861 . . . . 25.0 112.125 -175.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -72.98 -12.89 26.24 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 117.624 -1.117 . . . . 25.0 111.75 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.17 -5.3 59.34 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 110.475 -0.194 . . . . 25.0 110.475 -178.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 57.92 42.16 23.43 Favored 'General case' 0 C--O 1.219 -0.509 0 O-C-N 124.597 1.185 . . . . 25.0 111.648 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 83.5 mt -69.17 -25.94 64.6 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.808 -1.087 . . . . 25.0 109.806 177.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 84.31 22.08 55.2 Favored Glycine 0 C--O 1.224 -0.514 0 N-CA-C 111.135 -0.786 . . . . 25.0 111.135 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 5.6 m -146.0 155.42 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 109.145 -0.687 . . . . 25.0 109.145 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 14.0 t -132.07 133.25 60.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.41 -0.814 . . . . 25.0 110.084 -177.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.38 160.66 14.2 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 109.027 -0.731 . . . . 25.0 109.027 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -52.26 -42.95 64.09 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.41 0.624 . . . . 25.0 110.862 177.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -23.23 60.3 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.722 -0.611 . . . . 25.0 109.565 -174.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -73.96 -42.47 60.47 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 119.602 -0.839 . . . . 25.0 111.549 -176.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.436 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.4 p90 -68.27 -30.31 69.3 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 119.198 -1.001 . . . . 25.0 109.919 179.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 16.3 mm -62.15 -27.22 42.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.393 0.616 . . . . 25.0 110.767 177.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -62.87 -41.11 99.26 Favored 'General case' 0 C--N 1.319 -0.74 0 O-C-N 121.749 -0.595 . . . . 25.0 110.768 -178.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 815' ' ' PHE . . . . . 0.436 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 5.8 p90 . . . . . 0 CA--C 1.515 -0.387 0 C-N-CA 119.352 -0.939 . . . . 25.0 112.062 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 2.6 ttm . . . . . 0 C--O 1.238 0.45 0 CA-C-O 121.336 0.588 . . . . 25.0 110.306 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -61.96 -37.31 84.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.088 -0.505 . . . . 25.0 109.737 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 27.0 m -63.05 -43.39 98.78 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.896 0.379 . . . . 25.0 110.079 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -66.6 -35.48 80.31 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 121.449 -0.782 . . . . 25.0 110.797 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -61.12 -27.73 68.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.304 -0.407 . . . . 25.0 111.469 -177.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 53.0 mt -72.84 -46.03 54.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.139 -0.689 . . . . 25.0 109.139 -178.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.8 -23.56 31.4 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.698 -0.801 . . . . 25.0 111.239 -173.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.784 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -107.66 16.51 23.62 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 112.531 0.567 . . . . 25.0 112.531 -178.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -65.06 -25.04 70.69 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 108.668 -1.773 . . . . 25.0 108.668 173.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -69.37 -19.69 63.84 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.017 0.377 . . . . 25.0 112.017 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -131.47 -170.04 2.3 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-O 121.334 0.587 . . . . 25.0 109.677 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -111.09 14.52 21.88 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.956 -0.465 . . . . 25.0 110.857 174.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -160.13 178.19 9.92 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 115.976 -0.556 . . . . 25.0 109.563 -177.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . 0.784 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.4 OUTLIER -133.68 151.66 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 N-CA-C 108.921 -0.77 . . . . 25.0 108.921 -179.039 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 58.1 p -99.66 159.09 15.31 Favored 'General case' 0 C--N 1.314 -0.976 0 O-C-N 121.416 -0.803 . . . . 25.0 109.231 174.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 71.3 mtm -62.82 -29.95 71.11 Favored 'General case' 0 C--O 1.211 -0.968 0 CA-C-N 115.043 -0.981 . . . . 25.0 109.66 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -71.07 -41.97 70.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.892 0.377 . . . . 25.0 110.742 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -65.98 -50.84 62.9 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 122.018 -0.426 . . . . 25.0 111.024 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.6 pp -63.81 -22.02 66.71 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.155 -0.618 . . . . 25.0 112.444 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 67.4 mtt-85 -74.42 -15.14 60.92 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.307 -0.871 . . . . 25.0 112.187 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -78.24 -28.08 47.74 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 108.246 -1.02 . . . . 25.0 108.246 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -76.87 -46.4 24.71 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.453 -1.249 . . . . 25.0 110.617 -175.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.45 80.6 72.18 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 114.59 -1.186 . . . . 25.0 108.875 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -61.57 -23.59 76.73 Favored 'Trans proline' 0 CA--C 1.55 1.282 0 N-CA-C 119.196 2.729 . . . . 25.0 119.196 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -77.07 -167.29 0.45 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 C-N-CA 113.4 -3.933 . . . . 25.0 111.826 174.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -50.25 -17.12 0.4 Allowed 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 115.764 1.765 . . . . 25.0 115.764 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -54.54 -39.19 67.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.429 -0.794 . . . . 25.0 111.299 177.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -65.2 -38.05 89.23 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-O 120.803 0.335 . . . . 25.0 110.585 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -66.61 -39.58 88.42 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.669 0.747 . . . . 25.0 109.557 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -67.64 -31.29 71.21 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.492 -0.776 . . . . 25.0 109.467 177.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 56.0 m -71.2 -39.19 71.95 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 109.97 -0.382 . . . . 25.0 109.97 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 20.8 mt -63.63 -37.7 80.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.357 0.599 . . . . 25.0 110.459 178.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -69.08 -21.32 64.07 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.563 0.697 . . . . 25.0 110.612 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.35 -32.3 11.94 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 112.944 0.72 . . . . 25.0 112.944 -177.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 4.9 ttm -68.18 166.69 15.72 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-O 121.366 0.603 . . . . 25.0 111.782 -176.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -97.71 143.91 27.05 Favored Pre-proline 0 C--N 1.314 -0.947 0 N-CA-C 107.347 -1.353 . . . . 25.0 107.347 -178.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -73.76 148.01 40.68 Favored 'Trans proline' 0 C--O 1.232 0.183 0 CA-C-O 121.866 0.694 . . . . 25.0 112.028 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -108.53 131.7 54.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.416 -0.811 . . . . 25.0 111.535 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 5.2 t -136.69 41.27 2.54 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 122.128 0.966 . . . . 25.0 108.829 -178.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -90.94 -167.92 41.68 Favored Glycine 0 N--CA 1.461 0.311 0 CA-C-N 115.646 -0.706 . . . . 25.0 113.886 -177.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -68.6 -28.2 31.72 Favored 'Trans proline' 0 C--O 1.21 -0.899 0 CA-C-N 118.53 1.165 . . . . 25.0 113.936 -177.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -96.7 19.63 12.15 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 123.115 0.566 . . . . 25.0 109.55 -175.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 81.8 p -72.96 149.09 43.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.596 1.189 . . . . 25.0 113.837 -171.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 15.7 m -137.79 162.65 53.21 Favored Pre-proline 0 C--N 1.32 -0.703 0 N-CA-C 105.442 -2.058 . . . . 25.0 105.442 -178.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -60.44 0.98 0.58 Allowed 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 122.268 1.979 . . . . 25.0 116.975 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -137.03 35.49 2.08 Favored Glycine 0 C--O 1.223 -0.577 0 N-CA-C 111.506 -0.637 . . . . 25.0 111.506 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -93.99 138.08 32.49 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.335 0.588 . . . . 25.0 112.346 -177.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 87.1 mt -137.94 139.91 40.01 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 107.513 -1.291 . . . . 25.0 107.513 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -91.12 103.93 16.56 Favored 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 107.326 -1.361 . . . . 25.0 107.326 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -73.86 -31.58 63.23 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 115.438 -0.801 . . . . 25.0 110.076 -177.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 3.8 ttm -68.74 -28.8 67.14 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.362 1.077 . . . . 25.0 109.311 -178.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.3 t -82.97 -20.71 34.68 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.776 -1.102 . . . . 25.0 112.874 -176.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -56.52 -36.8 69.61 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.334 0.494 . . . . 25.0 112.334 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 32.9 t -55.09 -18.3 5.26 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 114.146 1.165 . . . . 25.0 114.146 174.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 30.8 p -100.98 -25.44 14.07 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 114.013 1.116 . . . . 25.0 114.013 -177.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -163.22 160.14 23.65 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.041 0.448 . . . . 25.0 112.093 -177.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 1.7 pt? . . . . . 0 C--N 1.327 -0.378 0 N-CA-C 104.608 -2.368 . . . . 25.0 104.608 176.117 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 C--O 1.221 -0.413 0 CA-C-O 119.508 -0.282 . . . . 25.0 110.688 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.79 -58.05 5.84 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 118.782 0.719 . . . . 25.0 110.391 176.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 21.6 ptp -57.89 -26.82 62.67 Favored 'General case' 0 C--O 1.218 -0.596 0 C-N-CA 119.965 -0.694 . . . . 25.0 111.251 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -53.78 49.88 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.751 -0.659 . . . . 25.0 109.914 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -73.79 -30.07 62.54 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 122.414 -0.179 . . . . 25.0 110.676 -176.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -61.31 -49.62 76.28 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.149 -0.685 . . . . 25.0 109.149 174.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 3.6 mtp-105 -65.12 -42.69 93.67 Favored 'General case' 0 C--O 1.217 -0.63 0 N-CA-C 109.743 -0.466 . . . . 25.0 109.743 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -67.7 -38.69 84.0 Favored 'General case' 0 C--O 1.213 -0.824 0 N-CA-C 113.045 0.757 . . . . 25.0 113.045 -177.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 21.6 t -70.44 -42.61 71.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 119.107 0.867 . . . . 25.0 109.814 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -41.48 91.19 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 107.752 -1.203 . . . . 25.0 107.752 177.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.03 -31.49 69.16 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.747 0.647 . . . . 25.0 112.747 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -70.35 -35.84 73.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.52 -0.738 . . . . 25.0 110.411 -178.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -83.03 -37.79 23.45 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 108.583 -0.895 . . . . 25.0 108.583 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 759' ' ' ASP . . . . . 0.445 ' HA ' HD21 ' A' ' 766' ' ' LEU . 55.1 t0 -91.42 70.69 6.0 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 122.584 1.183 . . . . 25.0 109.022 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 69.9 mtm-85 -75.38 -5.43 44.85 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.475 -1.239 . . . . 25.0 110.644 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -95.54 -1.17 51.1 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.087 -1.079 . . . . 25.0 108.087 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 23.6 p80 42.34 36.96 0.82 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.58 1.552 . . . . 25.0 114.723 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 30.6 t -70.45 -25.06 63.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.722 0.772 . . . . 25.0 109.981 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 91.8 1.53 70.58 Favored Glycine 0 C--O 1.237 0.294 0 N-CA-C 109.028 -1.629 . . . . 25.0 109.028 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -148.3 153.84 39.2 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 123.372 0.669 . . . . 25.0 109.694 -176.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 766' ' ' LEU . . . . . 0.48 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 19.8 mt -139.21 172.94 12.1 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 108.231 -1.026 . . . . 25.0 108.231 177.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.58 173.95 54.85 Favored Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 110.207 -1.157 . . . . 25.0 110.207 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -67.61 -32.07 31.74 Favored 'Trans proline' 0 C--N 1.347 0.486 0 CA-C-N 117.482 0.641 . . . . 25.0 113.099 -176.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -79.1 -36.51 40.59 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 121.9 -0.5 . . . . 25.0 110.354 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -66.77 -52.14 47.65 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.241 -0.436 . . . . 25.0 110.422 -178.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 771' ' ' PHE . . . . . 0.48 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -60.72 -31.04 70.35 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 113.412 0.893 . . . . 25.0 113.412 173.865 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -64.5 -45.48 87.07 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 120.291 -0.563 . . . . 25.0 109.656 176.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.37 -25.64 62.46 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 120.865 0.364 . . . . 25.0 111.468 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 41.2 t -60.7 -37.23 80.98 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 109.225 -0.658 . . . . 25.0 109.225 177.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 13.0 mt -67.15 -32.99 74.48 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 115.728 -0.669 . . . . 25.0 111.777 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.1 mt -58.17 -33.99 48.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 O-C-N 121.781 -0.575 . . . . 25.0 110.675 -176.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 90.9 p -62.19 -21.2 64.91 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.177 0.436 . . . . 25.0 112.177 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 13.8 mt -93.71 -14.79 25.92 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-O 121.168 0.509 . . . . 25.0 111.503 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 115.61 30.29 2.24 Favored Glycine 0 C--O 1.22 -0.732 0 N-CA-C 114.468 0.547 . . . . 25.0 114.468 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -97.0 130.69 44.29 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 109.437 -0.579 . . . . 25.0 109.437 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -84.93 49.86 1.82 Allowed 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 122.268 1.032 . . . . 25.0 109.559 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 44.2 mt . . . . . 0 C--N 1.328 -0.342 0 N-CA-C 107.515 -1.291 . . . . 25.0 107.515 -175.108 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.962 0 N-CA-C 110.862 -0.895 . . . . 25.0 110.862 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -61.29 -38.14 85.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.51 -0.994 . . . . 25.0 111.54 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -62.28 -36.78 83.13 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 116.627 -0.26 . . . . 25.0 110.309 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -89.41 -24.08 22.0 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 108.98 -0.748 . . . . 25.0 108.98 -178.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -72.13 -32.89 67.35 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 108.572 -0.899 . . . . 25.0 108.572 177.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -60.5 -30.79 69.94 Favored 'General case' 0 CA--C 1.561 1.394 0 O-C-N 123.211 0.319 . . . . 25.0 111.473 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.49 -40.2 30.3 Favored 'General case' 0 C--O 1.208 -1.096 0 N-CA-C 106.396 -1.705 . . . . 25.0 106.396 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.406 HG23 ' CE2' ' A' ' 815' ' ' PHE . 47.3 mt -59.61 -49.78 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.733 0 CA-C-N 115.269 -0.878 . . . . 25.0 109.568 -175.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 4.6 ptm -63.59 -27.36 69.19 Favored 'General case' 0 C--O 1.216 -0.667 0 C-N-CA 120.825 -0.35 . . . . 25.0 111.118 -177.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 42.1 m -75.97 -17.38 59.74 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 116.707 -0.224 . . . . 25.0 111.19 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 73.1 mt -96.23 -46.32 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-O 121.488 0.661 . . . . 25.0 110.346 -177.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.417 ' HB ' HG13 ' A' ' 807' ' ' VAL . 27.5 m -75.78 -15.81 15.45 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 CA-C-N 115.742 -0.663 . . . . 25.0 112.146 -177.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -150.63 65.2 6.91 Favored Pre-proline 0 CA--C 1.55 0.968 0 CA-C-O 121.817 0.817 . . . . 25.0 113.161 -176.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -71.91 -6.82 19.89 Favored 'Trans proline' 0 CA--C 1.534 0.494 0 C-N-CA 118.021 -0.852 . . . . 25.0 111.964 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.22 -11.42 43.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 25.0 110.844 -178.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? 57.76 50.01 11.33 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 124.295 0.997 . . . . 25.0 110.877 -176.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 86.8 mt -72.52 -26.24 61.69 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.227 -1.397 . . . . 25.0 107.227 174.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 86.69 17.83 59.36 Favored Glycine 0 C--O 1.223 -0.559 0 N-CA-C 110.322 -1.111 . . . . 25.0 110.322 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 11.1 m -148.91 156.98 7.36 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 CA-C-O 121.484 0.659 . . . . 25.0 109.674 -175.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 807' ' ' VAL . . . . . 0.417 HG13 ' HB ' ' A' ' 799' ' ' VAL . 16.7 t -129.64 132.38 66.19 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.528 0 CA-C-N 115.528 -0.76 . . . . 25.0 110.106 -177.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -97.42 158.57 15.4 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -50.69 -44.09 57.77 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-O 121.203 0.525 . . . . 25.0 110.648 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -24.1 61.61 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.354 -0.538 . . . . 25.0 109.93 -174.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -74.4 -41.39 61.02 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.145 -0.622 . . . . 25.0 111.666 -177.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.411 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.0 OUTLIER -68.92 -28.87 67.06 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 118.845 -1.142 . . . . 25.0 109.359 178.348 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 13.1 mm -64.76 -27.18 41.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 O-C-N 121.703 -0.623 . . . . 25.0 109.953 177.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -63.96 -46.71 83.46 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.719 -0.792 . . . . 25.0 110.071 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 815' ' ' PHE . . . . . 0.411 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.4 p90 . . . . . 0 CA--C 1.501 -0.939 0 C-N-CA 118.899 -1.12 . . . . 25.0 109.92 -178.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.517 -0.317 0 CA-C-O 121.479 0.657 . . . . 25.0 110.776 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -61.31 -36.87 81.3 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.202 -0.453 . . . . 25.0 110.847 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 60.1 p -64.04 -42.3 97.1 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.178 -0.609 . . . . 25.0 111.476 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -68.82 -37.44 79.2 Favored 'General case' 0 C--O 1.202 -1.412 0 C-N-CA 119.653 -0.819 . . . . 25.0 108.899 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -57.58 -25.82 60.55 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 112.566 0.58 . . . . 25.0 112.566 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 74.1 mt -73.66 -46.67 47.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.8 -26.11 24.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 122.19 0.995 . . . . 25.0 112.076 -174.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.466 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -83.64 -13.51 54.08 Favored 'General case' 0 C--O 1.207 -1.182 0 O-C-N 121.796 -0.565 . . . . 25.0 112.235 -178.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -58.31 -17.89 33.6 Favored Glycine 0 CA--C 1.523 0.579 0 O-C-N 123.621 0.576 . . . . 25.0 114.044 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -71.57 -18.44 62.24 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 117.024 0.412 . . . . 25.0 110.318 176.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -137.21 -157.0 0.74 Allowed 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 108.698 -0.853 . . . . 25.0 108.698 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -119.63 12.05 12.17 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.704 -0.623 . . . . 25.0 110.289 174.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -156.28 176.85 12.14 Favored 'General case' 0 C--O 1.245 0.864 0 N-CA-C 109.353 -0.61 . . . . 25.0 109.353 -176.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . 0.466 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.6 OUTLIER -129.43 147.08 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.776 0 N-CA-C 109.166 -0.679 . . . . 25.0 109.166 -177.458 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 65.4 p -100.13 159.91 14.74 Favored 'General case' 0 C--N 1.31 -1.141 0 O-C-N 120.973 -1.079 . . . . 25.0 109.682 172.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 73.6 mtm -60.18 -35.22 74.87 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-N 114.979 -1.01 . . . . 25.0 108.892 177.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -66.74 -43.04 85.24 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-O 121.831 0.824 . . . . 25.0 110.999 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -66.89 -47.34 72.13 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 112.689 0.626 . . . . 25.0 112.689 -178.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.7 pp -68.44 -25.0 64.8 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 120.344 -0.542 . . . . 25.0 111.193 -178.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -68.23 -14.23 62.83 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 122.004 -0.435 . . . . 25.0 111.413 177.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -78.9 -29.19 44.17 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.399 -0.593 . . . . 25.0 109.399 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -80.28 -42.53 22.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.125 0.964 . . . . 25.0 110.211 -175.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.85 81.43 70.32 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.263 -0.881 . . . . 25.0 109.04 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -63.43 -23.29 71.36 Favored 'Trans proline' 0 CA--C 1.549 1.249 0 N-CA-C 119.317 2.776 . . . . 25.0 119.317 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -78.43 -167.79 0.54 Allowed 'Trans proline' 0 C--N 1.367 1.504 0 C-N-CA 113.582 -3.812 . . . . 25.0 111.52 175.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -53.46 -12.78 0.49 Allowed 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.903 1.446 . . . . 25.0 114.903 -178.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -52.81 -38.78 61.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 118.239 0.472 . . . . 25.0 110.13 174.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -66.1 -41.72 90.24 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 121.484 -0.086 . . . . 25.0 111.055 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -64.89 -41.91 95.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.721 0.772 . . . . 25.0 110.023 -177.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -66.45 -30.4 70.75 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.62 -0.718 . . . . 25.0 109.324 177.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 37.2 m -72.06 -43.65 64.57 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 110.386 -0.228 . . . . 25.0 110.386 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 21.8 mt -62.89 -35.58 71.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 108.77 -0.826 . . . . 25.0 108.77 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -67.48 -8.03 30.3 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.516 0.932 . . . . 25.0 113.516 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -121.31 -32.84 3.79 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.379 0.881 . . . . 25.0 113.379 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 2.9 ttm -61.75 140.45 58.22 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-O 120.912 0.387 . . . . 25.0 111.836 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -67.92 142.31 95.34 Favored Pre-proline 0 C--N 1.318 -0.795 0 CA-C-N 115.888 -0.596 . . . . 25.0 110.042 -174.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -73.58 145.25 37.11 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 CA-C-O 121.903 0.71 . . . . 25.0 111.972 177.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -102.84 124.55 48.58 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.186 -0.915 . . . . 25.0 113.283 -178.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 12.4 m -130.52 73.33 1.53 Allowed 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 107.006 -1.479 . . . . 25.0 107.006 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -127.53 -170.53 12.86 Favored Glycine 0 C--O 1.223 -0.549 0 CA-C-N 115.402 -0.817 . . . . 25.0 113.482 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -68.99 -28.79 28.56 Favored 'Trans proline' 0 C--N 1.349 0.555 0 N-CA-C 116.256 1.598 . . . . 25.0 116.256 -176.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -97.71 19.89 12.87 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.028 0.442 . . . . 25.0 109.819 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 59.9 p -70.2 150.65 46.24 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 115.941 1.83 . . . . 25.0 115.941 -171.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 7.8 m -135.59 164.5 43.08 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 103.921 -2.622 . . . . 25.0 103.921 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.5 3.03 2.88 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 N-CA-C 115.789 1.419 . . . . 25.0 115.789 -178.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -128.74 35.92 2.54 Favored Glycine 0 CA--C 1.502 -0.732 0 N-CA-C 110.319 -1.112 . . . . 25.0 110.319 176.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -95.54 138.66 32.9 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.317 0.579 . . . . 25.0 112.268 -177.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 51.3 mt -134.64 141.38 46.57 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 107.538 -1.282 . . . . 25.0 107.538 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -92.27 102.1 14.6 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.114 -1.069 . . . . 25.0 108.114 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -73.1 -36.64 66.82 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-N 115.269 -0.878 . . . . 25.0 108.851 -177.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 33.2 ttp -64.86 -22.78 67.06 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.683 0.754 . . . . 25.0 110.673 -177.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 6.3 t -88.25 -27.3 21.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.171 -0.922 . . . . 25.0 112.424 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -54.03 -37.95 64.64 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.83 0.678 . . . . 25.0 112.83 -177.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -25.52 31.35 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 114.545 1.313 . . . . 25.0 114.545 178.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 12.9 t -114.69 -3.88 12.81 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.168 0.803 . . . . 25.0 113.168 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -154.01 134.7 13.64 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.378 0.51 . . . . 25.0 112.378 -177.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.7 pt? . . . . . 0 C--N 1.325 -0.473 0 N-CA-C 106.71 -1.589 . . . . 25.0 106.71 176.839 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 . . . . . 0 C--O 1.215 -0.743 0 N-CA-C 110.046 -0.353 . . . . 25.0 110.046 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.53 -55.44 6.32 Favored 'General case' 0 CA--C 1.494 -1.207 0 O-C-N 121.724 -0.61 . . . . 25.0 109.99 178.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 23.6 ptp -58.98 -25.54 63.67 Favored 'General case' 0 C--O 1.214 -0.815 0 C-N-CA 119.615 -0.834 . . . . 25.0 110.063 178.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.03 -55.83 25.22 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -71.75 -31.13 66.33 Favored 'General case' 0 C--O 1.217 -0.631 0 C-N-CA 120.878 -0.329 . . . . 25.0 110.55 -177.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.24 -45.57 93.99 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.298 0.571 . . . . 25.0 109.734 175.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 7.6 mtp-105 -71.65 -39.93 70.02 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 116.398 -0.364 . . . . 25.0 110.212 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.67 -38.17 76.98 Favored 'General case' 0 C--O 1.209 -1.072 0 N-CA-C 112.702 0.63 . . . . 25.0 112.702 -177.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 50.9 p -70.37 -41.59 72.89 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.474 0.579 . . . . 25.0 109.594 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -43.63 92.46 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 107.908 -1.145 . . . . 25.0 107.908 175.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.77 -30.37 68.95 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.605 0.965 . . . . 25.0 113.605 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -71.34 -33.91 70.03 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 122.163 -0.335 . . . . 25.0 110.584 -178.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -89.0 -36.47 15.81 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 108.172 -1.047 . . . . 25.0 108.172 178.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -91.47 68.87 5.81 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-O 122.404 1.097 . . . . 25.0 109.269 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -79.35 -3.79 47.9 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.775 -1.102 . . . . 25.0 110.067 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -91.69 -11.0 38.18 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.358 -0.979 . . . . 25.0 108.358 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 52.25 39.64 27.44 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.783 1.233 . . . . 25.0 112.968 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 2.5 m -71.48 -18.98 62.27 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.728 -0.841 . . . . 25.0 108.728 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 83.27 5.0 89.31 Favored Glycine 0 CA--C 1.508 -0.358 0 N-CA-C 109.224 -1.55 . . . . 25.0 109.224 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -151.17 158.43 43.96 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.775 -1.195 . . . . 25.0 107.775 -176.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 766' ' ' LEU . . . . . 0.478 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 13.9 mt -140.47 171.49 14.06 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.37 -0.974 . . . . 25.0 108.37 177.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.02 173.76 55.34 Favored Glycine 0 N--CA 1.453 -0.2 0 N-CA-C 111.301 -0.72 . . . . 25.0 111.301 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -66.3 -31.53 43.51 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 121.044 1.163 . . . . 25.0 113.308 -177.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -84.15 -34.39 24.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.155 -0.341 . . . . 25.0 110.389 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -63.73 -54.64 32.17 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.734 0.302 . . . . 25.0 110.352 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 771' ' ' PHE . . . . . 0.478 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -61.68 -29.5 70.12 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 113.182 0.808 . . . . 25.0 113.182 175.264 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -66.04 -45.33 81.81 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.785 -0.572 . . . . 25.0 109.834 177.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.53 -24.89 62.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.288 0.566 . . . . 25.0 110.177 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 45.6 t -62.44 -37.44 85.87 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 14.5 mt -65.58 -31.36 72.35 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 115.727 -0.67 . . . . 25.0 112.15 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 67.8 mt -59.05 -34.39 53.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 O-C-N 121.527 -0.733 . . . . 25.0 109.407 -177.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 1.5 m -61.52 -20.0 62.73 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.569 0.581 . . . . 25.0 112.569 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 16.6 mt -95.92 -16.72 21.57 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 115.889 -0.596 . . . . 25.0 111.306 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 115.45 36.99 1.13 Allowed Glycine 0 C--O 1.221 -0.717 0 CA-C-N 115.843 -0.617 . . . . 25.0 114.305 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -105.59 131.1 53.39 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.431 -0.581 . . . . 25.0 109.431 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -83.91 46.37 1.18 Allowed 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.445 0.641 . . . . 25.0 110.445 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 47.1 mt . . . . . 0 C--N 1.327 -0.407 0 N-CA-C 106.954 -1.499 . . . . 25.0 106.954 -175.866 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.21 -1.355 0 N-CA-C 110.285 -1.126 . . . . 25.0 110.285 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.56 -36.47 78.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 121.685 -0.891 . . . . 25.0 111.325 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -62.39 -39.33 92.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.702 -0.227 . . . . 25.0 111.119 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -86.64 -22.35 26.21 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-O 121.572 0.701 . . . . 25.0 110.594 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.8 -34.21 66.76 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 108.934 -0.765 . . . . 25.0 108.934 177.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -58.83 -33.05 69.97 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.318 0.58 . . . . 25.0 112.292 178.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -83.48 -29.03 28.32 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 119.836 -0.746 . . . . 25.0 109.34 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 44.1 mt -69.08 -46.41 78.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 C-N-CA 122.244 0.218 . . . . 25.0 110.745 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 8.8 ptt? -62.35 -23.52 66.83 Favored 'General case' 0 C--O 1.216 -0.694 0 C-N-CA 120.615 -0.434 . . . . 25.0 112.044 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 52.5 m -75.85 -18.1 59.57 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 111.668 0.247 . . . . 25.0 111.668 178.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 82.0 mt -94.4 -48.71 12.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.619 0.723 . . . . 25.0 110.616 -177.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.449 ' HB ' HG13 ' A' ' 807' ' ' VAL . 22.7 m -74.83 -14.44 15.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 N-CA-C 113.107 0.78 . . . . 25.0 113.107 -176.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -153.18 68.42 6.58 Favored Pre-proline 0 CA--C 1.543 0.677 0 CA-C-N 115.17 -0.923 . . . . 25.0 110.638 -175.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -71.15 -14.02 31.48 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 117.914 -0.924 . . . . 25.0 111.867 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.92 -9.31 58.22 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 116.207 -0.451 . . . . 25.0 110.472 -178.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 25.7 mmt85 56.91 48.24 16.26 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.373 1.045 . . . . 25.0 110.718 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 87.3 mt -71.52 -25.72 62.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 113.81 -1.541 . . . . 25.0 109.036 175.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 86.9 19.98 54.7 Favored Glycine 0 C--N 1.32 -0.324 0 N-CA-C 110.39 -1.084 . . . . 25.0 110.39 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 7.0 m -145.93 153.77 13.33 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.429 0 CA-C-O 121.383 0.611 . . . . 25.0 109.357 -177.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 807' ' ' VAL . . . . . 0.449 HG13 ' HB ' ' A' ' 799' ' ' VAL . 17.6 t -131.48 132.32 62.61 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 CA-C-N 115.575 -0.738 . . . . 25.0 110.452 -177.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.21 158.64 15.35 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -49.57 -44.53 46.87 Favored 'General case' 0 C--O 1.213 -0.861 0 C-N-CA 122.837 0.455 . . . . 25.0 110.71 178.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -24.12 62.27 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.195 -0.602 . . . . 25.0 110.489 -174.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -75.98 -40.15 54.39 Favored 'General case' 0 C--O 1.217 -0.634 0 C-N-CA 120.258 -0.577 . . . . 25.0 111.481 -177.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.402 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.0 OUTLIER -69.83 -28.05 65.37 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 118.646 -1.222 . . . . 25.0 110.445 177.708 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 14.7 mm -65.33 -27.88 43.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.215 0.531 . . . . 25.0 109.788 176.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -61.2 -47.84 84.29 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 121.786 -0.571 . . . . 25.0 110.307 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 815' ' ' PHE . . . . . 0.402 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.8 p90 . . . . . 0 C--O 1.207 -1.147 0 C-N-CA 119.566 -0.854 . . . . 25.0 111.233 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.521 0 CA-C-O 121.051 0.453 . . . . 25.0 110.511 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.51 -38.31 80.61 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.968 -0.382 . . . . 25.0 109.968 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 55.8 p -68.31 -38.47 81.61 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.493 0.553 . . . . 25.0 112.493 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -68.43 -34.06 75.33 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 109.362 -0.607 . . . . 25.0 109.362 -178.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -65.45 -20.09 66.21 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.684 -0.689 . . . . 25.0 112.761 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 83.8 mt -77.78 -42.44 28.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 107.963 -1.125 . . . . 25.0 107.963 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.68 -29.33 25.72 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.257 0.551 . . . . 25.0 112.155 -175.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.614 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -106.42 15.7 25.66 Favored 'General case' 0 C--O 1.206 -1.217 0 N-CA-C 112.213 0.449 . . . . 25.0 112.213 -177.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -61.25 -21.94 60.26 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 109.877 -1.289 . . . . 25.0 109.877 172.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -74.97 -17.21 60.58 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.087 0.402 . . . . 25.0 112.087 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -130.3 -176.64 4.02 Favored 'General case' 0 C--O 1.213 -0.833 0 CA-C-N 118.58 0.627 . . . . 25.0 110.096 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -108.04 13.07 26.37 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.125 -0.694 . . . . 25.0 109.125 174.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . 0.401 ' HB3' ' CE1' ' A' ' 867' ' ' TYR . 6.5 p90 -157.67 176.51 12.52 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.32 -0.622 . . . . 25.0 109.32 -176.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . 0.614 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.7 OUTLIER -135.92 151.15 28.87 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 N-CA-C 108.431 -0.952 . . . . 25.0 108.431 -177.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 71.1 p -100.7 158.46 15.93 Favored 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 119.482 -0.887 . . . . 25.0 109.364 174.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 69.9 mtm -59.91 -30.09 68.8 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 114.498 -1.228 . . . . 25.0 109.562 176.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -71.53 -43.82 65.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.5 0.667 . . . . 25.0 110.797 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -65.07 -46.75 79.87 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 116.133 -0.485 . . . . 25.0 111.35 -177.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.3 pp -67.31 -24.73 65.78 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.729 -0.607 . . . . 25.0 111.272 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -74.31 -12.32 60.51 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.738 -0.601 . . . . 25.0 111.328 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 17.3 ptt180 -77.43 -26.14 51.31 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 108.456 -0.942 . . . . 25.0 108.456 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -82.95 -42.42 17.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.962 0.886 . . . . 25.0 110.31 -176.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.13 78.66 75.78 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-N 115.213 -0.903 . . . . 25.0 109.867 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -54.33 -33.84 77.93 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 N-CA-C 118.974 2.644 . . . . 25.0 118.974 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -77.17 -164.81 0.29 Allowed 'Trans proline' 0 C--N 1.365 1.41 0 C-N-CA 115.096 -2.803 . . . . 25.0 112.838 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -53.38 -15.82 1.16 Allowed 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 114.359 1.244 . . . . 25.0 114.359 -177.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -53.03 -38.7 62.62 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 122.08 -0.388 . . . . 25.0 110.716 174.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.4 -41.12 96.83 Favored 'General case' 0 C--O 1.218 -0.555 0 O-C-N 122.112 -0.367 . . . . 25.0 110.267 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -68.2 -38.76 82.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.246 0.546 . . . . 25.0 109.985 -176.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -65.96 -32.02 73.26 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.295 -0.631 . . . . 25.0 109.295 176.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 54.4 m -72.07 -41.16 67.7 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 110.077 -0.342 . . . . 25.0 110.077 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 19.1 mt -64.24 -37.69 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 N-CA-C 108.807 -0.812 . . . . 25.0 108.807 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -71.15 1.12 6.33 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 112.469 0.544 . . . . 25.0 112.469 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -121.3 -35.33 3.3 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 112.51 0.559 . . . . 25.0 112.51 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 15.3 ttm -69.02 150.67 47.39 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 113.753 1.02 . . . . 25.0 113.753 -175.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -78.15 143.74 65.93 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.446 -0.797 . . . . 25.0 109.118 -175.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -76.23 152.78 35.5 Favored 'Trans proline' 0 C--O 1.233 0.266 0 CA-C-O 121.834 0.681 . . . . 25.0 112.702 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . 0.401 ' CE1' ' HB3' ' A' ' 842' ' ' TYR . 68.4 t80 -116.94 126.44 52.94 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.523 -0.762 . . . . 25.0 112.403 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 62.4 p -129.69 39.68 3.68 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.516 0.674 . . . . 25.0 110.182 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -85.21 -168.13 44.26 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 114.6 0.6 . . . . 25.0 114.6 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -69.82 -26.13 27.61 Favored 'Trans proline' 0 C--N 1.348 0.544 0 CA-C-N 118.866 1.333 . . . . 25.0 114.911 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -99.05 19.54 14.99 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.175 -0.676 . . . . 25.0 109.175 -178.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 83.0 p -75.16 153.85 37.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 122.852 1.31 . . . . 25.0 114.441 -171.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 3.3 m -138.7 164.21 41.37 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 103.07 -2.937 . . . . 25.0 103.07 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -66.96 -10.43 28.46 Favored 'Trans proline' 0 N--CA 1.475 0.421 0 C-N-CA 117.259 -1.361 . . . . 25.0 114.977 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -110.91 29.3 9.0 Favored Glycine 0 C--O 1.227 -0.33 0 N-CA-C 110.782 -0.927 . . . . 25.0 110.782 177.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -93.12 139.56 30.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.294 0.569 . . . . 25.0 111.49 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 66.7 mt -136.09 140.44 43.74 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 106.539 -1.652 . . . . 25.0 106.539 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -90.29 103.72 16.37 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 107.511 -1.292 . . . . 25.0 107.511 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -74.49 -36.36 63.25 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-N 115.29 -0.868 . . . . 25.0 109.169 -177.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 3.2 mtp -62.49 -26.58 68.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.469 0.652 . . . . 25.0 109.615 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.5 t -87.36 -19.09 28.64 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.953 -1.022 . . . . 25.0 113.422 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -57.88 -40.71 80.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.348 0.594 . . . . 25.0 111.93 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 41.2 t -56.99 -27.22 61.33 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.276 -0.42 . . . . 25.0 112.064 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 49.2 p -105.82 -11.34 16.28 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.548 0.944 . . . . 25.0 113.548 -176.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -153.32 118.88 5.26 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 122.571 0.349 . . . . 25.0 111.405 -176.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.2 pt? . . . . . 0 CA--C 1.512 -0.508 0 N-CA-C 106.761 -1.57 . . . . 25.0 106.761 178.106 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 . . . . . 0 C--O 1.222 -0.37 0 N-CA-C 111.12 0.044 . . . . 25.0 111.12 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.8 -56.66 4.7 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 121.521 0.676 . . . . 25.0 110.043 178.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 23.0 ptp -57.75 -25.32 60.27 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 119.989 -0.684 . . . . 25.0 110.524 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.3 -51.63 62.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.252 -0.431 . . . . 25.0 111.042 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -73.21 -32.16 64.6 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.441 -0.577 . . . . 25.0 109.441 -177.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -60.77 -44.05 97.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.963 0.411 . . . . 25.0 110.256 174.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -69.46 -42.31 75.06 Favored 'General case' 0 CA--C 1.511 -0.526 0 O-C-N 121.874 -0.516 . . . . 25.0 109.945 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.43 -38.7 90.67 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-O 119.136 -0.459 . . . . 25.0 111.916 -177.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 40.9 m -66.78 -44.75 80.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 118.332 0.514 . . . . 25.0 110.661 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -42.41 98.62 Favored 'General case' 0 C--O 1.209 -1.07 0 N-CA-C 108.759 -0.83 . . . . 25.0 108.759 177.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.52 -32.11 71.83 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.029 0.751 . . . . 25.0 113.029 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -67.76 -37.08 81.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.103 -0.373 . . . . 25.0 110.181 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -86.66 -37.96 17.5 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 109.422 -0.584 . . . . 25.0 109.422 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 759' ' ' ASP . . . . . 0.419 ' HA ' HD21 ' A' ' 766' ' ' LEU . 51.6 t0 -89.46 68.5 7.85 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-O 122.447 1.118 . . . . 25.0 109.069 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -74.36 -7.87 54.32 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.376 -1.284 . . . . 25.0 110.212 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -89.45 -11.48 42.93 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.759 -0.83 . . . . 25.0 108.759 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 52.93 37.88 25.58 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.863 1.265 . . . . 25.0 113.602 -178.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 26.4 m -71.16 -21.58 62.16 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.101 0.477 . . . . 25.0 110.046 177.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 91.95 -0.21 72.52 Favored Glycine 0 C--O 1.241 0.549 0 N-CA-C 109.726 -1.35 . . . . 25.0 109.726 -178.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 11.6 p -148.9 156.04 41.74 Favored 'General case' 0 CA--C 1.508 -0.647 0 C-N-CA 123.789 0.835 . . . . 25.0 110.013 -175.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 766' ' ' LEU . . . . . 0.466 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 21.0 mt -136.93 175.27 9.77 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 108.386 -0.968 . . . . 25.0 108.386 177.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -81.33 174.33 54.43 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 110.325 -1.11 . . . . 25.0 110.325 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -66.78 -35.84 26.23 Favored 'Trans proline' 0 C--N 1.343 0.269 0 CA-C-N 118.384 1.092 . . . . 25.0 113.261 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -77.5 -35.11 53.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.936 0.398 . . . . 25.0 111.146 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 82.1 mm-40 -63.6 -55.62 22.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.978 0.418 . . . . 25.0 110.552 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 771' ' ' PHE . . . . . 0.466 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.4 OUTLIER -60.16 -28.4 67.89 Favored 'General case' 0 C--O 1.198 -1.619 0 N-CA-C 113.559 0.948 . . . . 25.0 113.559 175.041 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 8.8 ttpt -63.53 -48.79 76.08 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.74 0.781 . . . . 25.0 108.94 176.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.78 -24.3 61.72 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.385 0.612 . . . . 25.0 110.866 -178.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 41.9 t -63.31 -32.42 73.83 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.705 -0.48 . . . . 25.0 109.705 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 16.7 mt -69.2 -34.09 74.35 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 121.37 0.605 . . . . 25.0 109.903 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 56.3 mt -59.38 -32.87 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-N 116.191 -0.459 . . . . 25.0 110.078 -178.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 20.0 t -62.46 -20.08 64.18 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.276 0.473 . . . . 25.0 112.276 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 20.5 mt -95.55 -20.97 18.57 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.431 -0.349 . . . . 25.0 110.476 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 118.54 35.91 0.96 Allowed Glycine 0 CA--C 1.52 0.394 0 CA-C-N 115.842 -0.617 . . . . 25.0 114.281 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -101.96 133.03 47.4 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.322 -0.992 . . . . 25.0 108.322 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -84.07 44.13 0.99 Allowed 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 121.534 0.683 . . . . 25.0 109.595 175.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 64.8 mt . . . . . 0 C--O 1.219 -0.505 0 N-CA-C 108.418 -0.956 . . . . 25.0 108.418 -176.968 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -1.337 0 N-CA-C 109.172 -1.571 . . . . 25.0 109.172 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.93 -34.31 71.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 118.301 1.05 . . . . 25.0 112.949 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -64.58 -33.48 76.01 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.699 0.285 . . . . 25.0 111.537 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -93.21 -25.19 17.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.447 0.641 . . . . 25.0 111.306 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -68.14 -35.19 77.69 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 108.387 -0.968 . . . . 25.0 108.387 177.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -58.75 -33.91 70.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.934 -0.575 . . . . 25.0 111.367 179.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 25.0 ptt-85 -86.48 -27.99 23.73 Favored 'General case' 0 C--O 1.219 -0.5 0 C-N-CA 119.736 -0.786 . . . . 25.0 110.331 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 38.2 mt -65.69 -47.42 86.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 122.221 0.208 . . . . 25.0 110.699 178.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 18.8 ptt? -60.84 -27.2 67.91 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-O 120.93 0.395 . . . . 25.0 111.463 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 66.2 m -72.99 -20.36 61.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 122.145 -0.347 . . . . 25.0 111.733 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 84.4 mt -92.0 -47.27 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.504 0 CA-C-O 121.453 0.644 . . . . 25.0 110.24 -177.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.432 ' HB ' HG13 ' A' ' 807' ' ' VAL . 31.9 m -76.18 -14.03 14.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.703 -0.68 . . . . 25.0 112.045 -176.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -151.99 69.74 7.7 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-O 121.902 0.858 . . . . 25.0 110.599 -176.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -72.74 -8.58 22.65 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 118.188 -0.742 . . . . 25.0 112.528 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -92.42 -6.34 50.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.141 -0.482 . . . . 25.0 110.737 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? 55.08 49.25 17.9 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-O 122.284 1.04 . . . . 25.0 111.675 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 83.9 mt -73.64 -24.8 60.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 113.923 -1.49 . . . . 25.0 108.65 175.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 87.81 19.36 54.14 Favored Glycine 0 N--CA 1.454 -0.144 0 CA-C-N 115.442 -0.799 . . . . 25.0 111.787 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 13.6 m -145.05 154.97 13.94 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.4 0 N-CA-C 109.619 -0.511 . . . . 25.0 109.619 -176.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 807' ' ' VAL . . . . . 0.432 HG13 ' HB ' ' A' ' 799' ' ' VAL . 14.5 t -131.06 132.17 63.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.711 -0.677 . . . . 25.0 109.524 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.29 161.44 13.8 Favored 'General case' 0 CA--C 1.506 -0.719 0 N-CA-C 109.45 -0.574 . . . . 25.0 109.45 179.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -52.27 -42.74 63.94 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-O 121.608 0.718 . . . . 25.0 110.414 178.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -22.99 59.11 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 121.624 -0.672 . . . . 25.0 109.512 -174.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -74.97 -41.68 59.1 Favored 'General case' 0 C--O 1.216 -0.709 0 C-N-CA 120.049 -0.66 . . . . 25.0 111.048 -177.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.45 -30.16 68.97 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 119.013 -1.075 . . . . 25.0 110.704 178.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 20.1 mm -62.01 -26.89 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.207 0.527 . . . . 25.0 109.654 176.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.6 -49.38 77.74 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 122.04 -0.412 . . . . 25.0 110.171 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 4.0 p90 . . . . . 0 CA--C 1.504 -0.789 0 C-N-CA 119.485 -0.886 . . . . 25.0 111.861 -178.515 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.239 0.529 0 CA-C-O 121.017 0.437 . . . . 25.0 110.117 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.32 91.83 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.034 -0.53 . . . . 25.0 110.069 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 61.4 p -65.04 -40.09 94.29 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 120.722 -0.391 . . . . 25.0 111.32 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -64.75 -46.7 81.09 Favored 'General case' 0 C--O 1.207 -1.17 0 C-N-CA 120.094 -0.643 . . . . 25.0 109.399 177.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -55.16 -30.09 59.15 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.53 0.937 . . . . 25.0 113.53 -175.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 78.1 mt -70.17 -43.98 78.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.91 -28.12 26.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.548 0.69 . . . . 25.0 111.622 -177.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.521 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -77.49 -13.34 59.94 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 113.385 0.883 . . . . 25.0 113.385 -175.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -57.41 -14.15 12.57 Favored Glycine 0 C--O 1.222 -0.598 0 O-C-N 123.686 0.616 . . . . 25.0 114.019 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -63.08 -31.81 73.04 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.348 0.659 . . . . 25.0 110.167 174.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -139.63 -155.96 0.64 Allowed 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 -176.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -115.43 13.49 16.52 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 121.961 -0.462 . . . . 25.0 110.429 174.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -156.01 179.22 9.42 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.203 -0.666 . . . . 25.0 109.203 -177.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . 0.521 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.2 OUTLIER -131.04 148.64 33.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.765 -0.828 . . . . 25.0 108.765 -177.681 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 34.1 p -99.04 158.12 15.88 Favored 'General case' 0 C--N 1.316 -0.862 0 O-C-N 121.653 -0.654 . . . . 25.0 109.831 173.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 70.5 mtm -59.67 -35.13 73.83 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.16 -0.927 . . . . 25.0 109.321 176.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -66.56 -42.26 87.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.362 0.601 . . . . 25.0 111.454 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -66.86 -49.14 66.62 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 116.18 -0.464 . . . . 25.0 111.696 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.12 -26.6 66.77 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 119.811 -0.756 . . . . 25.0 110.814 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 16.4 ttt180 -74.69 -12.85 60.53 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.869 -0.519 . . . . 25.0 111.788 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . 0.425 ' HG2' ' HG2' ' A' ' 851' ' ' GLU . 16.7 ptt180 -76.51 -28.85 56.55 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 107.962 -1.125 . . . . 25.0 107.962 178.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . 0.425 ' HG2' ' HG2' ' A' ' 850' ' ' ARG . 45.0 mm-40 -81.47 -41.33 21.94 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.256 -0.884 . . . . 25.0 110.63 -176.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.88 77.87 74.29 Favored Pre-proline 0 CA--C 1.539 0.531 0 CA-C-N 115.72 -0.673 . . . . 25.0 109.672 178.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -53.45 -34.14 70.35 Favored 'Trans proline' 0 CA--C 1.554 1.496 0 N-CA-C 118.672 2.528 . . . . 25.0 118.672 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.6 -166.89 0.38 Allowed 'Trans proline' 0 C--N 1.364 1.38 0 C-N-CA 115.247 -2.702 . . . . 25.0 112.946 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -52.2 -16.93 0.92 Allowed 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 115.14 1.533 . . . . 25.0 115.14 -177.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -51.97 -39.81 59.91 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 122.194 -0.316 . . . . 25.0 111.227 175.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.27 -41.29 96.99 Favored 'General case' 0 C--O 1.212 -0.883 0 C-N-CA 121.12 -0.232 . . . . 25.0 111.02 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -66.44 -41.37 89.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.442 0.639 . . . . 25.0 109.674 -177.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -65.67 -31.96 73.26 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.149 -0.685 . . . . 25.0 109.149 177.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 46.7 m -71.95 -42.15 66.94 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 110.008 -0.367 . . . . 25.0 110.008 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 20.7 mt -61.94 -42.03 93.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.528 -0.545 . . . . 25.0 109.528 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.5 -26.52 67.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.082 0.468 . . . . 25.0 111.474 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -93.03 -18.42 22.69 Favored 'General case' 0 C--O 1.211 -0.963 0 N-CA-C 112.572 0.582 . . . . 25.0 112.572 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 3.6 ttm -74.27 -178.52 3.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.242 0.544 . . . . 25.0 111.91 -176.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -113.48 144.61 31.65 Favored Pre-proline 0 N--CA 1.446 -0.64 0 N-CA-C 106.248 -1.76 . . . . 25.0 106.248 178.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -73.99 154.6 47.83 Favored 'Trans proline' 0 C--O 1.223 -0.253 0 CA-C-N 118.68 0.564 . . . . 25.0 112.114 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -113.09 132.32 55.47 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.125 0.787 . . . . 25.0 113.125 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 2.8 p -131.85 122.41 25.67 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 105.081 -2.192 . . . . 25.0 105.081 172.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -173.9 -173.23 39.88 Favored Glycine 0 CA--C 1.507 -0.42 0 C-N-CA 120.558 -0.83 . . . . 25.0 111.398 -176.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -69.86 -28.27 24.96 Favored 'Trans proline' 0 N--CA 1.473 0.267 0 CA-C-N 119.065 1.432 . . . . 25.0 114.744 -177.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -99.92 16.03 25.18 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.366 0.603 . . . . 25.0 109.895 -176.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 84.8 p -72.55 153.14 41.46 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 114.77 1.396 . . . . 25.0 114.77 -173.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 6.0 m -137.86 165.03 36.78 Favored Pre-proline 0 C--N 1.319 -0.748 0 N-CA-C 103.578 -2.749 . . . . 25.0 103.578 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.54 -9.38 26.04 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 115.883 -2.278 . . . . 25.0 114.351 -177.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -110.29 31.18 7.61 Favored Glycine 0 C--O 1.23 -0.151 0 CA-C-O 121.346 0.414 . . . . 25.0 112.234 177.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -92.98 137.37 32.43 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.603 0.594 . . . . 25.0 112.603 -176.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 61.1 mt -135.18 139.27 44.43 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.379 -0.971 . . . . 25.0 108.379 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -88.96 105.2 17.62 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 107.048 -1.464 . . . . 25.0 107.048 178.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -73.77 -33.34 64.21 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 114.872 -1.058 . . . . 25.0 108.742 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 4.1 ttm -68.34 -18.26 64.45 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.232 -0.895 . . . . 25.0 110.958 -177.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 4.7 t -94.61 -21.51 18.77 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.782 0.66 . . . . 25.0 112.782 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -58.14 -33.81 69.59 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.746 0.784 . . . . 25.0 110.974 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.66 -30.86 5.92 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 114.851 1.426 . . . . 25.0 114.851 177.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 8.8 t -109.5 -6.66 15.34 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.815 1.413 . . . . 25.0 114.815 -178.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -154.81 150.88 27.99 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.516 1.302 . . . . 25.0 114.516 -176.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.6 pt? . . . . . 0 N--CA 1.473 0.698 0 N-CA-C 106.59 -1.633 . . . . 25.0 106.59 178.432 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 120.271 0.081 . . . . 25.0 110.916 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.37 -56.76 5.89 Favored 'General case' 0 CA--C 1.504 -0.814 0 N-CA-C 109.28 -0.637 . . . . 25.0 109.28 179.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 18.9 ptp -58.13 -25.11 61.0 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 119.505 -0.878 . . . . 25.0 111.471 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -56.45 20.32 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 -179.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -71.26 -33.38 69.75 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.535 0.207 . . . . 25.0 110.569 -177.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -59.45 -51.64 69.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.29 0.567 . . . . 25.0 110.313 176.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -67.57 -40.63 84.89 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 122.038 -0.414 . . . . 25.0 110.534 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -67.03 -38.11 85.33 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 112.82 0.674 . . . . 25.0 112.82 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 16.9 t -68.82 -43.97 74.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 118.648 0.658 . . . . 25.0 110.105 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -40.98 85.9 Favored 'General case' 0 C--O 1.208 -1.106 0 N-CA-C 108.626 -0.879 . . . . 25.0 108.626 177.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.87 -32.63 71.1 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.447 0.642 . . . . 25.0 112.689 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -68.76 -32.42 72.16 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.503 -0.748 . . . . 25.0 111.19 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -89.87 -37.91 14.1 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 108.365 -0.976 . . . . 25.0 108.365 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 759' ' ' ASP . . . . . 0.403 ' HA ' HD21 ' A' ' 766' ' ' LEU . 55.0 t0 -88.28 69.91 9.14 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 122.185 0.993 . . . . 25.0 108.669 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 37.7 mtp85 -78.35 -6.87 56.39 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.687 -1.142 . . . . 25.0 110.47 -178.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -94.75 1.74 55.47 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 108.205 -1.035 . . . . 25.0 108.205 178.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 16.3 p80 39.99 41.19 0.85 Allowed 'General case' 0 C--O 1.239 0.51 0 C-N-CA 125.336 1.455 . . . . 25.0 114.207 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.26 -22.8 61.17 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.909 0.385 . . . . 25.0 110.17 179.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 92.44 1.1 69.22 Favored Glycine 0 C--O 1.243 0.669 0 N-CA-C 109.397 -1.481 . . . . 25.0 109.397 -178.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -149.94 157.37 43.1 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 123.729 0.811 . . . . 25.0 108.866 -174.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 766' ' ' LEU . . . . . 0.477 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 14.2 mt -139.66 171.04 14.81 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.614 -0.884 . . . . 25.0 108.614 177.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -78.49 173.7 55.2 Favored Glycine 0 N--CA 1.45 -0.388 0 N-CA-C 111.497 -0.641 . . . . 25.0 111.497 -178.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -67.08 -30.49 38.5 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 121.134 1.223 . . . . 25.0 113.275 -177.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -81.52 -38.0 26.94 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.009 0.433 . . . . 25.0 110.558 178.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -62.69 -55.27 28.4 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.991 -0.55 . . . . 25.0 110.433 -178.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 771' ' ' PHE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.2 OUTLIER -61.98 -27.59 68.96 Favored 'General case' 0 C--O 1.21 -0.988 0 N-CA-C 113.247 0.832 . . . . 25.0 113.247 175.839 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -67.07 -44.66 79.52 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 118.606 0.639 . . . . 25.0 109.603 177.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.63 -25.91 62.35 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.006 0.432 . . . . 25.0 110.623 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 40.8 t -61.46 -36.14 79.56 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.139 -0.689 . . . . 25.0 109.139 177.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 16.6 mt -65.81 -32.02 73.31 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 115.81 -0.632 . . . . 25.0 112.082 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 68.8 mt -57.87 -35.19 50.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 O-C-N 121.879 -0.513 . . . . 25.0 110.493 -176.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 93.2 p -65.59 -18.99 65.73 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.382 0.512 . . . . 25.0 112.382 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 14.1 mt -94.14 -13.38 26.8 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 123.415 0.447 . . . . 25.0 110.766 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 113.7 37.23 1.31 Allowed Glycine 0 C--O 1.214 -1.126 0 N-CA-C 113.835 0.294 . . . . 25.0 113.835 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -108.61 128.92 55.25 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.008 -1.108 . . . . 25.0 108.008 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -84.51 51.33 2.08 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.487 0.66 . . . . 25.0 110.31 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 41.7 mt . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 121.507 0.67 . . . . 25.0 109.234 -175.364 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.205 -1.716 0 N-CA-C 109.615 -1.394 . . . . 25.0 109.615 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.53 -36.96 79.68 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.75 -0.853 . . . . 25.0 111.498 177.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.05 -38.3 90.65 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.648 0.261 . . . . 25.0 111.177 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -90.31 -17.0 28.14 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-O 121.479 0.657 . . . . 25.0 110.821 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -75.36 -33.52 61.07 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 108.042 -1.096 . . . . 25.0 108.042 175.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.12 -33.69 71.17 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.098 0.407 . . . . 25.0 112.098 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 23.3 ptt180 -80.55 -30.74 37.08 Favored 'General case' 0 C--O 1.214 -0.776 0 N-CA-C 108.547 -0.909 . . . . 25.0 108.547 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 59.1 mt -68.53 -48.55 71.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 122.495 0.318 . . . . 25.0 111.328 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 10.2 ptm -61.67 -27.55 68.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.986 0.422 . . . . 25.0 110.866 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 46.6 m -74.49 -16.27 60.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.768 0.318 . . . . 25.0 111.718 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 81.9 mt -97.31 -48.37 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-O 121.3 0.572 . . . . 25.0 110.643 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.411 ' HB ' HG13 ' A' ' 807' ' ' VAL . 21.7 m -75.85 -14.06 15.1 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 CA-C-N 115.572 -0.74 . . . . 25.0 112.389 -176.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -152.73 66.18 6.11 Favored Pre-proline 0 CA--C 1.545 0.752 0 CA-C-O 121.415 0.626 . . . . 25.0 112.186 -175.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -73.41 -12.12 24.92 Favored 'Trans proline' 0 CA--C 1.535 0.533 0 C-N-CA 117.415 -1.257 . . . . 25.0 111.507 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.84 -7.34 59.22 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 116.099 -0.5 . . . . 25.0 110.32 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 51.4 mmm-85 55.88 45.9 23.18 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 124.483 1.114 . . . . 25.0 111.342 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 87.3 mt -69.11 -24.68 64.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.754 -1.112 . . . . 25.0 108.867 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.86 19.27 58.17 Favored Glycine 0 C--N 1.316 -0.544 0 N-CA-C 111.053 -0.819 . . . . 25.0 111.053 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 3.5 m -147.92 155.55 9.96 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 CA-C-O 121.273 0.559 . . . . 25.0 109.721 -177.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 807' ' ' VAL . . . . . 0.411 HG13 ' HB ' ' A' ' 799' ' ' VAL . 16.6 t -130.36 133.17 64.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.19 -0.914 . . . . 25.0 109.888 -178.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.97 160.62 14.19 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 109.151 -0.685 . . . . 25.0 109.151 179.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -51.9 -42.99 63.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.408 0.623 . . . . 25.0 110.219 178.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -23.61 60.89 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 121.78 -0.575 . . . . 25.0 109.667 -174.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -74.85 -40.27 61.1 Favored 'General case' 0 C--O 1.21 -0.982 0 C-N-CA 120.603 -0.439 . . . . 25.0 111.694 -177.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -69.84 -29.38 66.63 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 118.877 -1.129 . . . . 25.0 109.587 178.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 22.2 mm -62.9 -27.7 43.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 121.806 -0.558 . . . . 25.0 109.642 176.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -61.77 -41.86 98.24 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.378 -0.601 . . . . 25.0 109.378 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 3.5 p90 . . . . . 0 C--O 1.212 -0.901 0 C-N-CA 119.251 -0.98 . . . . 25.0 112.098 178.397 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 8.5 tpt . . . . . 0 CA--C 1.534 0.337 0 CA-C-O 122.272 1.034 . . . . 25.0 109.824 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -63.82 -35.73 81.57 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 115.839 -0.619 . . . . 25.0 110.167 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 21.4 t -60.53 -43.54 97.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.074 0.398 . . . . 25.0 112.074 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -63.31 -35.29 79.87 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.25 -0.58 . . . . 25.0 109.99 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -69.12 -19.04 64.03 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 123.068 0.547 . . . . 25.0 112.456 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 66.4 mt -83.73 -39.56 15.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 N-CA-C 108.136 -1.061 . . . . 25.0 108.136 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . 0.449 ' HG ' HD11 ' A' ' 843' ' ' ILE . 0.3 OUTLIER -84.69 -33.41 23.18 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.462 0.542 . . . . 25.0 112.462 -174.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.883 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -74.97 -47.51 28.99 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 106.411 -1.7 . . . . 25.0 106.411 174.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 54.83 -97.52 0.04 OUTLIER Glycine 0 CA--C 1.489 -1.556 0 CA-C-N 112.153 -2.294 . . . . 25.0 114.23 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -83.34 0.81 44.25 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 120.178 -0.609 . . . . 25.0 112.543 -175.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -95.95 143.9 26.73 Favored 'General case' 0 CA--C 1.502 -0.886 0 N-CA-C 106.364 -1.717 . . . . 25.0 106.364 175.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -86.86 7.56 26.67 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.392 0.615 . . . . 25.0 109.941 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -152.79 174.84 13.55 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.079 -0.712 . . . . 25.0 109.079 -177.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . 0.883 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.2 OUTLIER -137.36 155.13 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 N-CA-C 107.215 -1.402 . . . . 25.0 107.215 -177.134 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 73.8 p -104.78 161.01 14.53 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 108.215 -1.032 . . . . 25.0 108.215 173.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 73.0 mtm -60.69 -37.72 82.56 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.189 -0.914 . . . . 25.0 109.046 176.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.38 -38.55 91.44 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.17 -0.468 . . . . 25.0 111.801 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -67.28 -48.43 67.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.324 -0.398 . . . . 25.0 110.91 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.9 pp -72.6 -28.77 62.98 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.311 -0.956 . . . . 25.0 111.077 -177.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -74.92 -12.99 60.48 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 121.212 -0.93 . . . . 25.0 111.195 177.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -73.3 -24.77 60.44 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.41 -0.806 . . . . 25.0 109.009 177.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -97.06 -31.98 12.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 123.607 0.567 . . . . 25.0 110.994 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.76 75.54 70.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 109.865 -0.42 . . . . 25.0 109.865 175.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -54.46 -35.3 84.77 Favored 'Trans proline' 0 CA--C 1.548 1.188 0 N-CA-C 118.682 2.532 . . . . 25.0 118.682 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -77.12 -162.0 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 C-N-CA 115.715 -2.39 . . . . 25.0 113.201 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -53.57 -16.2 1.45 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 114.65 1.352 . . . . 25.0 114.65 -177.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 31.3 mm100 -52.24 -44.88 65.1 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 121.801 -0.562 . . . . 25.0 110.316 174.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.67 -38.52 91.43 Favored 'General case' 0 C--O 1.214 -0.781 0 C-N-CA 120.898 -0.321 . . . . 25.0 111.601 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -66.99 -40.28 87.33 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.067 0.46 . . . . 25.0 110.342 -177.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -66.34 -32.65 74.18 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 108.315 -0.995 . . . . 25.0 108.315 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 63.3 m -71.54 -43.24 66.76 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 122.397 -0.189 . . . . 25.0 110.557 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 15.8 mt -64.65 -36.38 77.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.222 -0.659 . . . . 25.0 109.222 179.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.96 -15.17 62.76 Favored 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 111.953 0.353 . . . . 25.0 111.953 177.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -108.34 -30.97 8.04 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 114.013 1.116 . . . . 25.0 114.013 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 8.7 ttm -68.89 153.39 43.88 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 113.473 0.916 . . . . 25.0 113.473 -176.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -82.11 145.04 51.93 Favored Pre-proline 0 C--N 1.317 -0.82 0 N-CA-C 108.765 -0.828 . . . . 25.0 108.765 -177.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -75.75 152.1 37.0 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 120.982 1.121 . . . . 25.0 113.181 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -115.49 125.64 53.31 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 113.132 0.79 . . . . 25.0 113.132 -178.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 6.3 m -131.49 66.69 1.54 Allowed 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.66 -0.867 . . . . 25.0 108.66 177.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -116.26 -167.46 14.83 Favored Glycine 0 N--CA 1.46 0.286 0 CA-C-N 115.422 -0.808 . . . . 25.0 113.721 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -69.84 -29.99 22.6 Favored 'Trans proline' 0 C--N 1.349 0.574 0 N-CA-C 115.313 1.236 . . . . 25.0 115.313 -178.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -96.91 29.58 3.01 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 109.331 -0.618 . . . . 25.0 109.331 -178.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 95.9 p -78.26 148.37 33.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 123.202 1.477 . . . . 25.0 112.898 -173.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 15.7 m -135.43 163.35 51.49 Favored Pre-proline 0 C--N 1.319 -0.744 0 N-CA-C 103.082 -2.933 . . . . 25.0 103.082 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -57.67 -23.99 60.49 Favored 'Trans proline' 0 C--N 1.349 0.576 0 N-CA-C 116.32 1.623 . . . . 25.0 116.32 -177.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -109.63 37.67 3.67 Favored Glycine 0 CA--C 1.507 -0.428 0 CA-C-O 119.823 -0.431 . . . . 25.0 113.061 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -91.3 138.37 31.64 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.209 0.528 . . . . 25.0 111.584 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 43.8 mt -134.56 139.49 45.43 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 108.07 -1.085 . . . . 25.0 108.07 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -89.8 103.5 16.15 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 107.057 -1.46 . . . . 25.0 107.057 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -75.93 -35.52 59.72 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-N 115.249 -0.887 . . . . 25.0 109.04 -176.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 1.5 mtp -63.99 -23.97 67.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.239 0.542 . . . . 25.0 110.153 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 4.0 t -87.23 -18.61 29.87 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.104 0.779 . . . . 25.0 113.104 177.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -57.75 -41.49 82.02 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.173 0.511 . . . . 25.0 111.404 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -18.81 8.05 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 114.457 1.28 . . . . 25.0 114.457 175.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 43.0 p -109.25 -16.85 13.97 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 114.099 1.148 . . . . 25.0 114.099 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -156.72 136.48 12.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.867 0.365 . . . . 25.0 111.395 -177.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.4 pt? . . . . . 0 C--N 1.325 -0.471 0 N-CA-C 105.941 -1.874 . . . . 25.0 105.941 176.501 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 . . . . . 0 N--CA 1.451 -0.387 0 CA-C-O 119.54 -0.266 . . . . 25.0 111.0 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.26 -55.74 6.02 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-O 120.986 0.422 . . . . 25.0 110.834 178.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 23.0 ptp -58.51 -25.4 62.34 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 119.505 -0.878 . . . . 25.0 110.418 178.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -54.97 28.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.568 -0.742 . . . . 25.0 110.032 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -72.72 -30.64 64.36 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 110.167 -0.309 . . . . 25.0 110.167 -176.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -60.23 -50.31 74.16 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.206 -0.664 . . . . 25.0 109.206 175.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -65.67 -42.31 91.44 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 120.947 -0.301 . . . . 25.0 110.71 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -67.21 -37.93 84.44 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 113.132 0.789 . . . . 25.0 113.132 -177.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 50.9 m -68.74 -42.7 77.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 118.045 0.384 . . . . 25.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -41.68 94.86 Favored 'General case' 0 C--O 1.209 -1.076 0 N-CA-C 107.913 -1.143 . . . . 25.0 107.913 177.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.32 -29.42 64.99 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.952 0.723 . . . . 25.0 112.952 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -72.14 -31.67 66.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.136 0.494 . . . . 25.0 110.365 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -89.1 -39.37 13.67 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 109.174 -0.676 . . . . 25.0 109.174 178.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 759' ' ' ASP . . . . . 0.436 ' HA ' HD21 ' A' ' 766' ' ' LEU . 48.1 t0 -90.79 71.18 6.62 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 122.758 1.266 . . . . 25.0 108.287 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -79.99 -0.5 35.59 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 113.911 -1.495 . . . . 25.0 110.427 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -93.87 -11.49 31.0 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 107.431 -1.322 . . . . 25.0 107.431 177.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 55.43 36.73 27.72 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 114.395 -1.275 . . . . 25.0 112.35 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 40.2 t -69.83 -26.7 64.36 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 114.863 -1.062 . . . . 25.0 109.885 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 93.65 -1.57 68.99 Favored Glycine 0 C--O 1.238 0.372 0 N-CA-C 109.81 -1.316 . . . . 25.0 109.81 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 16.3 p -147.95 154.93 40.98 Favored 'General case' 0 CA--C 1.506 -0.738 0 C-N-CA 123.453 0.701 . . . . 25.0 109.922 -176.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 766' ' ' LEU . . . . . 0.475 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 21.3 mt -137.7 173.38 11.71 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.24 -1.022 . . . . 25.0 108.24 177.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.13 174.26 55.29 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 121.102 -0.57 . . . . 25.0 111.75 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.71 -27.93 31.32 Favored 'Trans proline' 0 C--O 1.225 -0.166 0 C-N-CA 121.099 1.2 . . . . 25.0 112.322 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -82.71 -37.7 24.37 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.786 0.327 . . . . 25.0 110.379 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -67.38 -53.59 27.98 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.614 -0.267 . . . . 25.0 110.458 -178.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 771' ' ' PHE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -58.62 -30.95 67.65 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 112.923 0.712 . . . . 25.0 112.923 174.086 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -65.13 -44.4 88.81 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.608 0.64 . . . . 25.0 109.875 177.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -72.52 -24.94 61.22 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.035 0.445 . . . . 25.0 110.921 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 49.4 t -63.12 -35.75 81.32 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 109.621 -0.511 . . . . 25.0 109.621 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 14.8 mt -64.58 -35.65 81.66 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-O 121.903 0.859 . . . . 25.0 109.719 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 61.4 mt -60.92 -32.52 52.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 O-C-N 121.575 -0.703 . . . . 25.0 110.48 -176.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 19.1 t -61.8 -21.72 64.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.366 -0.379 . . . . 25.0 111.617 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 18.0 mt -92.32 -20.7 20.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.198 0.523 . . . . 25.0 110.22 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 124.45 20.06 2.47 Favored Glycine 0 C--O 1.218 -0.886 0 N-CA-C 115.084 0.794 . . . . 25.0 115.084 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -87.49 141.71 28.42 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.536 -1.283 . . . . 25.0 107.536 -177.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -96.17 35.01 1.49 Allowed 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.088 -0.96 . . . . 25.0 111.091 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 77.8 mt . . . . . 0 C--N 1.327 -0.388 0 N-CA-C 105.469 -2.048 . . . . 25.0 105.469 -177.671 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.927 0 N-CA-C 109.537 -1.425 . . . . 25.0 109.537 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -58.96 -35.85 73.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 118.691 1.246 . . . . 25.0 111.374 177.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.9 -32.6 74.18 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-O 119.149 -0.453 . . . . 25.0 111.097 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -97.57 -20.91 17.38 Favored 'General case' 0 N--CA 1.424 -1.738 0 N-CA-C 109.754 -0.461 . . . . 25.0 109.754 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.08 -33.01 65.37 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 106.497 -1.668 . . . . 25.0 106.497 178.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.59 -29.77 68.2 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.826 0.822 . . . . 25.0 112.991 177.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.6 -39.2 24.86 Favored 'General case' 0 N--CA 1.503 2.193 0 N-CA-C 107.239 -1.393 . . . . 25.0 107.239 178.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 72.4 mt -60.08 -49.54 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.244 0 CA-C-N 116.188 -0.46 . . . . 25.0 110.382 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 25.9 ptm -62.04 -28.35 69.53 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-O 121.007 0.432 . . . . 25.0 110.585 -177.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 59.4 m -72.78 -19.7 61.3 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.869 -0.519 . . . . 25.0 111.589 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 75.8 mt -94.68 -47.7 13.2 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 CA-C-O 121.121 0.486 . . . . 25.0 110.354 -177.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.433 ' HB ' HG13 ' A' ' 807' ' ' VAL . 26.4 m -74.75 -14.12 15.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 112.56 0.578 . . . . 25.0 112.56 -176.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -150.93 70.25 8.56 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.268 -0.878 . . . . 25.0 110.425 -176.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -72.7 -14.45 27.13 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 117.367 -1.289 . . . . 25.0 111.69 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.5 -9.05 58.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.471 -0.331 . . . . 25.0 111.313 -178.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 25.5 mmt85 58.92 46.43 13.76 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.042 0.839 . . . . 25.0 111.752 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 84.1 mt -71.27 -26.52 62.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.26 -1.336 . . . . 25.0 109.283 176.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 87.84 20.14 51.43 Favored Glycine 0 C--O 1.227 -0.317 0 CA-C-N 115.448 -0.796 . . . . 25.0 111.724 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 13.5 m -146.3 157.56 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 109.46 -0.571 . . . . 25.0 109.46 -176.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 807' ' ' VAL . . . . . 0.433 HG13 ' HB ' ' A' ' 799' ' ' VAL . 15.8 t -131.79 133.47 61.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 123.191 0.596 . . . . 25.0 110.239 -178.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.31 160.49 14.3 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.577 -0.527 . . . . 25.0 109.577 178.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -52.69 -43.07 65.34 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-O 121.892 0.853 . . . . 25.0 110.314 178.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -20.72 59.45 Favored 'General case' 0 C--N 1.314 -0.945 0 O-C-N 121.736 -0.602 . . . . 25.0 110.002 -174.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -77.01 -39.68 49.41 Favored 'General case' 0 C--O 1.217 -0.63 0 C-N-CA 120.172 -0.611 . . . . 25.0 110.892 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.412 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 0.7 OUTLIER -68.17 -31.48 71.06 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 118.635 -1.226 . . . . 25.0 109.05 177.081 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 17.0 mm -64.83 -28.33 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 109.128 -0.693 . . . . 25.0 109.128 178.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -61.64 -44.89 96.13 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.912 -0.315 . . . . 25.0 110.672 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 815' ' ' PHE . . . . . 0.412 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.7 p90 . . . . . 0 CA--C 1.515 -0.374 0 C-N-CA 119.276 -0.969 . . . . 25.0 111.011 177.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 22.9 ttm . . . . . 0 CA--C 1.516 -0.36 0 N-CA-C 109.863 -0.421 . . . . 25.0 109.863 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -57.14 -36.42 70.69 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.127 -0.323 . . . . 25.0 110.127 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 15.7 m -71.55 -44.29 64.83 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 121.094 -0.242 . . . . 25.0 110.999 -178.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -63.7 -39.59 94.68 Favored 'General case' 0 C--O 1.206 -1.186 0 C-N-CA 119.883 -0.727 . . . . 25.0 109.733 178.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -55.62 -27.1 47.73 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.197 0.599 . . . . 25.0 112.589 -177.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 59.7 mt -71.96 -46.49 59.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.162 -0.681 . . . . 25.0 109.162 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.75 -27.2 27.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.844 0.831 . . . . 25.0 111.971 -176.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.572 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -79.99 -14.15 58.8 Favored 'General case' 0 C--O 1.205 -1.273 0 CA-C-N 115.212 -0.904 . . . . 25.0 113.107 -177.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -57.47 -16.24 20.69 Favored Glycine 0 C--O 1.22 -0.73 0 O-C-N 123.382 0.426 . . . . 25.0 114.042 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -64.98 -29.97 70.92 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.461 0.704 . . . . 25.0 110.917 174.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -138.03 -165.09 1.73 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.097 0.559 . . . . 25.0 109.906 -175.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -107.57 9.0 29.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.156 -0.34 . . . . 25.0 110.525 175.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -156.89 -179.54 8.31 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.858 -0.423 . . . . 25.0 109.858 -176.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . 0.572 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.2 OUTLIER -134.19 151.71 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 108.581 -0.896 . . . . 25.0 108.581 -178.262 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 64.3 p -102.72 162.68 12.73 Favored 'General case' 0 C--N 1.315 -0.935 0 O-C-N 120.978 -1.076 . . . . 25.0 108.777 173.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 71.9 mtm -60.06 -36.09 76.58 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.155 -0.929 . . . . 25.0 110.3 177.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -68.14 -40.1 82.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.082 -0.508 . . . . 25.0 111.3 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -67.32 -45.42 76.5 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 116.108 -0.496 . . . . 25.0 111.631 -178.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.0 pp -70.02 -26.4 64.04 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.399 -0.921 . . . . 25.0 110.247 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -75.37 -11.24 60.01 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 121.662 -0.649 . . . . 25.0 111.403 177.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -70.06 -27.82 64.95 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 176.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -82.98 -46.67 12.61 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.427 -0.806 . . . . 25.0 109.717 -178.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.74 82.66 59.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.309 -0.86 . . . . 25.0 110.206 -178.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -60.86 -27.0 84.1 Favored 'Trans proline' 0 CA--C 1.549 1.229 0 N-CA-C 118.453 2.444 . . . . 25.0 118.453 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -75.77 -164.58 0.25 Allowed 'Trans proline' 0 C--N 1.362 1.254 0 C-N-CA 113.539 -3.841 . . . . 25.0 112.541 177.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -57.37 -14.11 4.27 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 115.251 1.575 . . . . 25.0 115.251 -177.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -50.4 -40.2 49.27 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.716 -0.615 . . . . 25.0 110.895 173.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.78 95.18 Favored 'General case' 0 C--O 1.213 -0.833 0 C-N-CA 120.668 -0.413 . . . . 25.0 111.281 178.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -63.44 -44.33 94.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.883 0.849 . . . . 25.0 108.796 -177.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -65.92 -33.66 76.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.452 -0.795 . . . . 25.0 109.511 178.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 56.9 m -70.35 -38.08 74.74 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 122.339 -0.226 . . . . 25.0 111.008 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 20.2 mt -64.7 -31.81 55.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.12 -0.696 . . . . 25.0 109.12 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -77.31 -14.07 59.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 122.372 1.082 . . . . 25.0 109.752 -176.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.06 -12.45 14.84 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.049 -0.978 . . . . 25.0 111.568 -175.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 9.0 ttm -88.26 172.48 9.41 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.067 0.46 . . . . 25.0 111.666 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -99.21 145.78 30.61 Favored Pre-proline 0 CA--C 1.545 0.785 0 N-CA-C 107.577 -1.268 . . . . 25.0 107.577 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -76.17 154.71 37.3 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 120.709 0.939 . . . . 25.0 113.786 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -123.73 124.85 43.64 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 112.9 0.704 . . . . 25.0 112.9 179.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 73.5 p -131.55 42.76 3.15 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 108.359 -0.978 . . . . 25.0 108.359 177.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -84.52 -168.11 43.78 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-N 115.532 -0.758 . . . . 25.0 113.397 -177.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -68.91 -28.16 29.82 Favored 'Trans proline' 0 CA--C 1.536 0.606 0 CA-C-N 118.882 1.341 . . . . 25.0 114.894 -177.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -96.63 20.55 10.62 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.354 0.597 . . . . 25.0 110.027 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 85.9 p -75.55 154.52 36.75 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.926 1.454 . . . . 25.0 114.926 -172.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 6.6 m -137.04 166.39 27.55 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 104.005 -2.591 . . . . 25.0 104.005 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -68.09 -2.58 9.09 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 116.928 -1.581 . . . . 25.0 115.637 -177.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -126.03 40.03 1.91 Allowed Glycine 0 CA--C 1.509 -0.321 0 N-CA-C 111.588 -0.605 . . . . 25.0 111.588 176.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -95.54 139.4 31.86 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 112.468 0.544 . . . . 25.0 112.468 -177.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 63.7 mt -136.54 142.81 43.45 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.423 -0.954 . . . . 25.0 108.423 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -91.82 107.0 18.9 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 107.544 -1.28 . . . . 25.0 107.544 178.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -76.87 -34.41 57.79 Favored 'General case' 0 CA--C 1.497 -1.07 0 CA-C-N 115.274 -0.876 . . . . 25.0 109.144 -177.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -27.27 67.63 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.077 -0.51 . . . . 25.0 109.944 -179.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.3 t -86.03 -10.66 54.63 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 113.161 0.8 . . . . 25.0 113.161 -176.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -59.02 -38.4 79.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.238 0.542 . . . . 25.0 111.604 -177.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 20.4 p -65.5 -14.23 60.58 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.909 -0.494 . . . . 25.0 112.035 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 44.4 p -109.25 -15.66 14.23 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.906 0.706 . . . . 25.0 112.906 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -157.92 131.58 7.84 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.155 0.502 . . . . 25.0 112.006 -177.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 N-CA-C 105.76 -1.941 . . . . 25.0 105.76 177.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 110.458 -0.201 . . . . 25.0 110.458 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.77 -53.59 11.18 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 121.405 0.621 . . . . 25.0 110.305 178.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 24.6 ptp -60.06 -25.67 65.55 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 119.294 -0.962 . . . . 25.0 109.978 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -52.55 61.41 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.83 -0.433 . . . . 25.0 109.83 178.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -73.21 -30.18 63.33 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 110.048 -0.352 . . . . 25.0 110.048 -177.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -63.57 -44.3 94.49 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.273 0.558 . . . . 25.0 109.722 176.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -67.03 -42.75 84.35 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 109.119 -0.697 . . . . 25.0 109.119 178.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -66.92 -38.23 85.82 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 113.424 0.898 . . . . 25.0 113.424 -177.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 17.2 p -70.38 -42.93 71.11 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 118.797 0.726 . . . . 25.0 109.766 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -40.52 84.89 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 108.434 -0.95 . . . . 25.0 108.434 176.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.23 -31.17 65.58 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-O 121.42 0.629 . . . . 25.0 112.242 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -67.12 -32.37 73.46 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 121.705 -0.622 . . . . 25.0 110.286 -178.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -92.22 -41.67 10.29 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 108.748 -0.834 . . . . 25.0 108.748 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -90.46 71.73 6.97 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 122.662 1.22 . . . . 25.0 109.229 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 36.9 mtm180 -80.93 1.0 32.88 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 113.975 -1.466 . . . . 25.0 110.939 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -96.53 -9.87 28.59 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.053 -1.091 . . . . 25.0 108.053 178.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 54.68 39.61 31.39 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.823 1.249 . . . . 25.0 111.946 -178.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 47.5 t -68.76 -24.71 64.47 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.291 -1.004 . . . . 25.0 108.291 176.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 90.56 -3.84 81.84 Favored Glycine 0 C--O 1.243 0.669 0 N-CA-C 109.201 -1.56 . . . . 25.0 109.201 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 19.2 p -145.66 158.84 43.8 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 123.632 0.773 . . . . 25.0 109.783 -175.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 766' ' ' LEU . . . . . 0.479 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 25.3 mt -139.95 173.59 11.37 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.906 -1.146 . . . . 25.0 107.906 175.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -85.67 -179.27 50.3 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 110.267 -1.133 . . . . 25.0 110.267 -178.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -68.56 -32.17 25.23 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 121.659 1.573 . . . . 25.0 115.207 -174.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -84.87 -35.78 21.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.51 -0.744 . . . . 25.0 109.408 -178.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -63.2 -53.96 44.96 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.261 -0.427 . . . . 25.0 110.428 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 771' ' ' PHE . . . . . 0.479 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -61.59 -28.79 69.6 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 113.489 0.922 . . . . 25.0 113.489 173.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -65.79 -48.6 71.22 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 108.966 -0.753 . . . . 25.0 108.966 177.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -69.15 -24.1 64.04 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.539 0.685 . . . . 25.0 111.006 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 51.8 t -62.96 -31.62 72.77 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.546 -0.752 . . . . 25.0 109.908 177.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 15.9 mt -70.83 -33.81 71.05 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-O 121.64 0.733 . . . . 25.0 109.952 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 54.8 mt -60.83 -32.84 53.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 O-C-N 121.677 -0.64 . . . . 25.0 110.201 -176.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 41.2 m -63.14 -18.36 63.36 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.164 -0.471 . . . . 25.0 112.174 177.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 15.0 mt -97.04 -15.57 20.97 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 123.128 0.571 . . . . 25.0 111.169 178.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 119.12 22.4 3.52 Favored Glycine 0 C--O 1.218 -0.852 0 N-CA-C 115.371 0.908 . . . . 25.0 115.371 178.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -93.37 148.57 21.94 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.57 -1.27 . . . . 25.0 107.57 -177.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -101.45 31.05 3.91 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 122.396 1.093 . . . . 25.0 109.668 178.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 42.2 mt . . . . . 0 CA--C 1.504 -0.789 0 N-CA-C 106.914 -1.513 . . . . 25.0 106.914 -177.047 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.959 0 N-CA-C 109.292 -1.523 . . . . 25.0 109.292 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.91 -37.55 76.88 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 121.74 -0.859 . . . . 25.0 111.666 177.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.02 -40.21 97.05 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 110.392 -0.225 . . . . 25.0 110.392 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -88.78 -16.86 31.09 Favored 'General case' 0 C--O 1.249 1.052 0 N-CA-C 110.381 -0.229 . . . . 25.0 110.381 -178.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.55 -30.66 61.83 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 107.738 -1.208 . . . . 25.0 107.738 173.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -61.97 -30.84 71.2 Favored 'General case' 0 CA--C 1.569 1.68 0 CA-C-O 119.711 -0.185 . . . . 25.0 110.798 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -40.9 63.16 Favored 'General case' 0 C--O 1.203 -1.388 0 CA-C-O 123.064 1.411 . . . . 25.0 109.07 176.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 58.9 mt -61.72 -50.12 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.674 0 CA-C-N 114.059 -1.428 . . . . 25.0 110.491 -174.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 17.5 ptt? -62.43 -22.97 66.6 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 111.896 0.332 . . . . 25.0 111.896 -178.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 21.4 m -83.33 -19.14 36.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.43 -0.35 . . . . 25.0 111.632 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 70.0 mt -93.71 -47.77 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 CA-C-O 121.0 0.428 . . . . 25.0 110.064 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 19.3 m -74.94 -13.38 15.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 N-CA-C 113.056 0.761 . . . . 25.0 113.056 -177.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -156.25 70.65 5.03 Favored Pre-proline 0 C--O 1.243 0.742 0 CA-C-N 115.524 -0.762 . . . . 25.0 110.242 -175.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -72.87 -15.05 26.65 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 117.573 -1.152 . . . . 25.0 112.194 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.59 -4.77 59.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 25.0 110.459 -178.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 57.2 42.71 25.04 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 124.188 0.93 . . . . 25.0 111.561 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 80.8 mt -69.08 -25.22 64.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.065 -0.97 . . . . 25.0 108.945 176.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 88.3 18.87 54.59 Favored Glycine 0 C--O 1.224 -0.512 0 CA-C-N 116.25 -0.432 . . . . 25.0 112.642 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 15.6 m -142.39 153.86 18.16 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 CA-C-N 117.521 0.661 . . . . 25.0 110.322 -178.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 9.3 t -130.53 132.93 64.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 115.648 -0.706 . . . . 25.0 109.175 -178.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.4 161.11 13.94 Favored 'General case' 0 CA--C 1.502 -0.868 0 N-CA-C 109.039 -0.726 . . . . 25.0 109.039 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -51.82 -43.16 63.01 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-O 121.807 0.813 . . . . 25.0 110.141 178.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.86 -22.56 56.08 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 119.917 -0.713 . . . . 25.0 110.391 -174.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -71.9 -39.07 69.8 Favored 'General case' 0 C--O 1.212 -0.878 0 C-N-CA 120.319 -0.553 . . . . 25.0 110.93 -178.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -71.5 -29.78 65.2 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 118.576 -1.25 . . . . 25.0 110.052 177.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 16.3 mm -63.72 -28.53 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 121.199 0.523 . . . . 25.0 110.037 177.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -57.18 -53.39 58.62 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.098 -0.705 . . . . 25.0 109.098 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 3.7 p90 . . . . . 0 C--O 1.212 -0.878 0 C-N-CA 118.967 -1.093 . . . . 25.0 111.183 -176.957 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 19.2 ttm . . . . . 0 CA--C 1.505 -0.751 0 CA-C-O 120.452 0.168 . . . . 25.0 110.578 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -55.5 -38.36 69.07 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 116.394 -0.366 . . . . 25.0 110.603 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 92.9 p -66.39 -43.93 84.49 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 120.136 -0.626 . . . . 25.0 110.573 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -67.47 -37.78 83.43 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-O 121.389 0.614 . . . . 25.0 110.496 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -66.24 -21.18 66.29 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 122.917 0.487 . . . . 25.0 111.62 -177.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 50.5 mt -79.81 -42.34 22.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 108.42 -0.956 . . . . 25.0 108.42 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.49 -32.9 23.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.39 0.614 . . . . 25.0 112.52 -177.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.488 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -108.28 17.17 22.5 Favored 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 115.967 -0.56 . . . . 25.0 112.43 -176.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -67.35 -17.59 68.58 Favored Glycine 0 C--O 1.217 -0.932 0 N-CA-C 108.738 -1.745 . . . . 25.0 108.738 170.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -68.21 -30.78 69.94 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.497 0.719 . . . . 25.0 110.74 176.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -123.12 -155.34 0.65 Allowed 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 107.395 -1.335 . . . . 25.0 107.395 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 24.3 p-10 -127.2 12.58 7.11 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 121.541 -0.725 . . . . 25.0 109.292 175.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . 0.406 ' HB3' ' CE1' ' A' ' 867' ' ' TYR . 10.5 p90 -156.55 173.64 16.63 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 108.603 -0.888 . . . . 25.0 108.603 -176.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . 0.488 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.4 OUTLIER -131.6 152.06 36.49 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.759 0 N-CA-C 107.953 -1.129 . . . . 25.0 107.953 -176.855 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 37.8 p -99.96 161.75 13.41 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 107.563 -1.273 . . . . 25.0 107.563 175.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 75.9 mtm -59.65 -31.87 69.93 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.558 -0.746 . . . . 25.0 109.31 177.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -71.58 -44.46 64.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.554 -0.748 . . . . 25.0 112.644 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -65.08 -45.58 84.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.963 -0.562 . . . . 25.0 111.504 -177.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.1 pp -67.4 -26.35 66.4 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.353 -0.842 . . . . 25.0 110.69 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -67.76 -18.4 64.87 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.476 -0.765 . . . . 25.0 112.432 176.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . 0.401 ' HG2' ' HG2' ' A' ' 851' ' ' GLU . 0.9 OUTLIER -72.29 -26.25 61.9 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 178.422 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . 0.401 ' HG2' ' HG2' ' A' ' 850' ' ' ARG . 6.7 mm-40 -83.11 -42.47 17.35 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 115.522 -0.763 . . . . 25.0 110.886 -176.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.42 81.56 69.77 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 116.159 -0.473 . . . . 25.0 111.122 -177.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -53.86 -32.85 68.92 Favored 'Trans proline' 0 CA--C 1.551 1.337 0 N-CA-C 119.339 2.784 . . . . 25.0 119.339 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -77.4 -167.32 0.46 Allowed 'Trans proline' 0 C--N 1.364 1.394 0 C-N-CA 114.652 -3.099 . . . . 25.0 112.794 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -52.65 -16.49 0.96 Allowed 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 115.754 1.761 . . . . 25.0 115.754 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -49.65 -39.06 34.83 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 122.164 -0.335 . . . . 25.0 111.032 173.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -68.92 -39.17 79.81 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 112.15 0.426 . . . . 25.0 112.15 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -62.7 -43.76 97.98 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.54 -0.911 . . . . 25.0 108.54 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -64.88 -35.72 82.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.264 -0.88 . . . . 25.0 109.838 177.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 24.6 m -66.28 -44.41 83.62 Favored 'General case' 0 C--O 1.213 -0.827 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 22.3 mt -61.58 -40.76 87.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.892 -0.41 . . . . 25.0 109.892 178.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.69 -21.92 66.58 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.79 0.663 . . . . 25.0 112.79 179.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -107.64 -24.89 11.57 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 113.201 0.815 . . . . 25.0 113.201 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . 0.428 ' HG3' ' HB2' ' A' ' 882' ' ' PHE . 7.0 ttm -66.59 154.7 39.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.522 0.677 . . . . 25.0 111.488 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -80.55 146.4 61.01 Favored Pre-proline 0 C--N 1.318 -0.802 0 N-CA-C 106.728 -1.582 . . . . 25.0 106.728 -177.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -75.79 149.29 33.38 Favored 'Trans proline' 0 CA--C 1.518 -0.277 0 CA-C-N 119.071 0.704 . . . . 25.0 111.481 176.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . 0.406 ' CE1' ' HB3' ' A' ' 842' ' ' TYR . 72.3 t80 -109.22 127.95 54.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.339 0.59 . . . . 25.0 112.352 -178.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 73.0 p -134.82 46.22 2.47 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.595 -0.891 . . . . 25.0 108.595 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -93.63 -169.33 38.6 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 111.539 -0.624 . . . . 25.0 111.539 -177.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -71.13 -28.53 18.78 Favored 'Trans proline' 0 C--O 1.214 -0.717 0 CA-C-N 119.038 1.419 . . . . 25.0 114.654 -178.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -99.27 38.42 1.41 Allowed 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 107.65 -1.241 . . . . 25.0 107.65 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 78.1 p -86.93 152.48 22.39 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.454 1.121 . . . . 25.0 113.677 -174.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 11.1 m -134.75 160.73 67.32 Favored Pre-proline 0 C--N 1.317 -0.815 0 N-CA-C 102.939 -2.986 . . . . 25.0 102.939 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -74.99 46.08 1.46 Allowed 'Trans proline' 0 CA--C 1.546 1.08 0 C-N-CA 121.367 1.378 . . . . 25.0 113.713 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -175.31 32.45 0.09 OUTLIER Glycine 0 C--N 1.323 -0.162 0 N-CA-C 109.385 -1.486 . . . . 25.0 109.385 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -100.51 142.97 31.24 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 113.996 -1.102 . . . . 25.0 111.261 -176.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 55.1 mt -133.99 138.18 45.25 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 124.154 0.982 . . . . 25.0 108.372 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -89.65 104.24 16.82 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 106.966 -1.494 . . . . 25.0 106.966 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -80.65 -32.46 36.13 Favored 'General case' 0 CA--C 1.485 -1.522 0 CA-C-N 114.835 -1.075 . . . . 25.0 109.438 -176.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 2.6 mtt -65.97 -30.44 71.01 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 108.826 -0.805 . . . . 25.0 108.826 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.5 t -85.38 -17.75 35.77 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 114.075 1.139 . . . . 25.0 114.075 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . 0.428 ' HB2' ' HG3' ' A' ' 864' ' ' MET . 8.1 t80 -58.49 -34.61 71.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.092 0.472 . . . . 25.0 111.911 -177.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 21.1 t -56.16 -29.11 60.34 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 112.612 0.597 . . . . 25.0 112.612 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 14.1 t -110.08 -2.08 17.18 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.046 1.128 . . . . 25.0 114.046 -178.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -156.16 129.39 8.11 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.626 -0.671 . . . . 25.0 112.407 -178.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 1.7 pt? . . . . . 0 C--N 1.323 -0.583 0 N-CA-C 106.659 -1.608 . . . . 25.0 106.659 175.549 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 CA--C 1.499 -1.001 0 CA-C-O 122.235 1.016 . . . . 25.0 108.631 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.73 -60.42 3.86 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 113.921 -1.49 . . . . 25.0 112.326 177.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.02 -26.32 60.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.267 -0.896 . . . . 25.0 111.303 178.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.28 -52.87 51.44 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.274 -0.421 . . . . 25.0 111.291 179.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -68.84 -33.28 73.55 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.167 -0.679 . . . . 25.0 109.167 -178.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -60.49 -46.79 88.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.254 0.549 . . . . 25.0 110.614 176.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 13.0 mtp85 -68.32 -40.38 81.66 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 116.472 -0.331 . . . . 25.0 110.32 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.52 -40.32 92.83 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.882 -0.327 . . . . 25.0 111.45 -178.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 45.9 m -65.16 -44.54 88.21 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 117.824 0.284 . . . . 25.0 110.869 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -41.05 96.33 Favored 'General case' 0 C--O 1.21 -0.985 0 N-CA-C 108.917 -0.772 . . . . 25.0 108.917 177.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.47 -33.56 73.09 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.783 0.66 . . . . 25.0 112.783 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -66.71 -34.42 77.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.089 0.471 . . . . 25.0 110.238 -178.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -90.93 -35.03 14.96 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 115.986 -0.552 . . . . 25.0 110.122 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 759' ' ' ASP . . . . . 0.455 ' HA ' HD21 ' A' ' 766' ' ' LEU . 50.5 t0 -92.99 70.62 4.6 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-O 122.204 1.002 . . . . 25.0 108.899 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -79.37 -0.77 34.04 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.693 -1.139 . . . . 25.0 110.565 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -90.36 -11.47 40.53 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 107.132 -1.433 . . . . 25.0 107.132 174.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 51.15 35.35 13.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.423 -1.262 . . . . 25.0 113.027 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 90.7 p -74.47 -20.82 59.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.778 -0.646 . . . . 25.0 110.518 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 96.55 0.44 60.91 Favored Glycine 0 C--O 1.243 0.658 0 N-CA-C 110.0 -1.24 . . . . 25.0 110.0 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 3.1 p -145.06 160.63 41.09 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 123.263 0.625 . . . . 25.0 110.963 -176.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 766' ' ' LEU . . . . . 0.472 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 22.5 mt -141.26 175.03 9.97 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 107.187 -1.412 . . . . 25.0 107.187 175.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -84.59 -179.41 51.38 Favored Glycine 0 C--O 1.241 0.593 0 N-CA-C 110.043 -1.223 . . . . 25.0 110.043 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.97 -31.43 19.63 Favored 'Trans proline' 0 CA--C 1.528 0.217 0 N-CA-C 115.153 1.174 . . . . 25.0 115.153 -175.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -84.88 -33.63 22.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.506 0.669 . . . . 25.0 109.611 -177.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 58.5 mp0 -63.93 -55.79 20.02 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.571 -0.74 . . . . 25.0 109.781 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 771' ' ' PHE . . . . . 0.472 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.4 OUTLIER -59.89 -31.08 69.47 Favored 'General case' 0 C--O 1.213 -0.835 0 N-CA-C 113.071 0.767 . . . . 25.0 113.071 173.791 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt -65.2 -45.97 82.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 119.033 0.833 . . . . 25.0 109.801 177.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.28 -25.66 62.54 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.176 0.512 . . . . 25.0 110.826 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 52.5 t -61.67 -36.19 80.13 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.624 -0.51 . . . . 25.0 109.624 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 11.9 mt -66.92 -33.03 74.7 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 121.471 0.653 . . . . 25.0 111.588 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 68.8 mt -58.55 -33.53 48.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-O 121.32 0.581 . . . . 25.0 110.046 -177.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 1.2 m -60.35 -23.59 64.38 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 122.97 0.508 . . . . 25.0 112.196 178.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 15.5 mt -93.92 -18.96 21.39 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 116.033 -0.53 . . . . 25.0 111.555 -178.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 118.4 36.76 0.9 Allowed Glycine 0 C--O 1.221 -0.687 0 CA-C-N 116.005 -0.543 . . . . 25.0 114.434 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -103.78 130.1 51.27 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.153 -0.616 . . . . 25.0 109.339 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -84.31 52.21 2.29 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.968 0.89 . . . . 25.0 110.795 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 44.5 mt . . . . . 0 C--N 1.327 -0.395 0 N-CA-C 108.209 -1.034 . . . . 25.0 108.209 -176.423 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.21 -1.365 0 N-CA-C 109.797 -1.321 . . . . 25.0 109.797 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.83 -33.56 70.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 118.387 1.094 . . . . 25.0 112.378 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.48 -36.77 84.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.683 0.278 . . . . 25.0 111.04 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -94.2 -17.37 22.78 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-O 121.899 0.856 . . . . 25.0 111.823 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -73.87 -32.42 63.62 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 107.203 -1.406 . . . . 25.0 107.203 174.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.65 -33.78 71.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.046 -0.524 . . . . 25.0 111.836 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 40.0 ptt85 -81.4 -30.06 33.73 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 108.273 -1.01 . . . . 25.0 108.273 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.448 HG23 ' CE2' ' A' ' 815' ' ' PHE . 40.4 mt -68.75 -51.06 49.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.916 -0.402 . . . . 25.0 109.916 -177.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 19.2 ptt? -60.04 -26.02 65.79 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.234 0.457 . . . . 25.0 112.234 -178.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 46.8 m -77.98 -20.33 52.83 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.211 0.448 . . . . 25.0 112.211 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 67.3 mt -93.72 -46.57 13.73 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.59 0 CA-C-O 121.348 0.594 . . . . 25.0 110.354 -176.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.42 ' HB ' HG13 ' A' ' 807' ' ' VAL . 32.8 m -74.83 -12.97 15.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.73 -0.668 . . . . 25.0 112.524 -176.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -150.56 70.69 8.93 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.582 -0.736 . . . . 25.0 111.242 -176.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -74.18 -13.44 23.4 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 117.178 -1.415 . . . . 25.0 112.373 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.38 -5.81 59.27 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.526 -0.307 . . . . 25.0 110.914 -178.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 57.49 45.82 18.98 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 123.712 0.805 . . . . 25.0 112.269 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 82.6 mt -70.93 -24.75 62.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.707 -1.133 . . . . 25.0 108.895 176.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.33 18.1 61.24 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.528 -0.76 . . . . 25.0 111.995 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 16.2 m -145.51 159.71 12.7 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 N-CA-C 109.179 -0.674 . . . . 25.0 109.179 -176.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 807' ' ' VAL . . . . . 0.42 HG13 ' HB ' ' A' ' 799' ' ' VAL . 12.0 t -131.33 132.0 63.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.842 -0.617 . . . . 25.0 109.882 -179.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 6.7 t -97.47 158.93 15.22 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 109.685 -0.487 . . . . 25.0 109.685 178.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -50.33 -43.53 53.92 Favored 'General case' 0 C--O 1.215 -0.742 0 CA-C-O 121.462 0.649 . . . . 25.0 111.214 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -21.53 60.96 Favored 'General case' 0 C--N 1.318 -0.791 0 O-C-N 121.335 -0.853 . . . . 25.0 110.101 -175.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -77.06 -41.12 43.66 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 119.775 -0.77 . . . . 25.0 110.749 -176.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.435 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.0 OUTLIER -67.49 -29.56 69.02 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 119.194 -1.002 . . . . 25.0 110.332 178.103 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 20.2 mm -63.91 -25.9 39.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 121.058 0.456 . . . . 25.0 110.354 177.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -60.33 -47.69 84.95 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.209 -0.596 . . . . 25.0 110.684 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 815' ' ' PHE . . . . . 0.448 ' CE2' HG23 ' A' ' 795' ' ' ILE . 3.9 p90 . . . . . 0 CA--C 1.505 -0.771 0 C-N-CA 119.644 -0.822 . . . . 25.0 112.588 -177.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.223 0 N-CA-C 109.676 -0.49 . . . . 25.0 109.676 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.33 -44.16 92.65 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 116.375 -0.375 . . . . 25.0 110.103 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 40.9 m -58.54 -44.11 89.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.945 0.402 . . . . 25.0 110.783 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -63.96 -44.63 92.2 Favored 'General case' 0 C--O 1.204 -1.333 0 N-CA-C 108.799 -0.815 . . . . 25.0 108.799 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -57.87 -31.93 67.19 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.66 0.615 . . . . 25.0 112.66 -176.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 26.0 mt -72.98 -42.54 59.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 N-CA-C 108.678 -0.86 . . . . 25.0 108.678 -177.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.36 -22.85 30.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.439 0.637 . . . . 25.0 112.163 -177.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.464 ' HB2' ' CD1' ' A' ' 843' ' ' ILE . . . -84.92 -13.89 49.39 Favored 'General case' 0 C--O 1.206 -1.2 0 N-CA-C 113.124 0.787 . . . . 25.0 113.124 -178.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -47.38 -27.61 4.16 Favored Glycine 0 C--O 1.227 -0.284 0 N-CA-C 116.719 1.448 . . . . 25.0 116.719 -175.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -73.63 -14.34 61.16 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 117.795 0.798 . . . . 25.0 112.68 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -137.48 -172.71 3.29 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 123.162 0.585 . . . . 25.0 109.436 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -109.65 14.46 23.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 121.813 -0.554 . . . . 25.0 111.245 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -159.92 178.76 9.41 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.541 0.21 . . . . 25.0 110.779 -176.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 837' ' ' ALA . 0.4 OUTLIER -133.58 152.08 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 N-CA-C 108.175 -1.046 . . . . 25.0 108.175 -177.191 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 76.4 p -104.52 164.63 11.61 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 107.799 -1.186 . . . . 25.0 107.799 171.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.93 -35.63 69.28 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.173 -1.376 . . . . 25.0 111.378 177.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -73.35 -42.3 62.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.55 -0.75 . . . . 25.0 110.919 -179.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -61.05 -46.6 90.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.831 -0.622 . . . . 25.0 112.032 -178.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.0 pp -71.11 -26.44 63.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.755 0.312 . . . . 25.0 111.334 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -67.36 -12.97 61.52 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.7 -0.625 . . . . 25.0 111.221 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -62.91 -31.34 72.39 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 109.507 -0.553 . . . . 25.0 109.507 175.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -90.33 -36.7 14.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.012 -0.54 . . . . 25.0 111.728 -174.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.77 77.58 76.08 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.047 -0.524 . . . . 25.0 110.156 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -59.71 -28.7 87.95 Favored 'Trans proline' 0 CA--C 1.554 1.517 0 N-CA-C 119.132 2.705 . . . . 25.0 119.132 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -77.38 -161.03 0.13 Allowed 'Trans proline' 0 C--N 1.363 1.33 0 C-N-CA 114.246 -3.37 . . . . 25.0 112.68 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -55.35 -16.83 3.88 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.304 1.224 . . . . 25.0 114.304 -178.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -51.77 -40.62 60.64 Favored 'General case' 0 N--CA 1.447 -0.611 0 O-C-N 122.052 -0.405 . . . . 25.0 111.842 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.29 97.74 Favored 'General case' 0 C--O 1.206 -1.202 0 C-N-CA 120.919 -0.312 . . . . 25.0 110.475 178.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -68.6 -38.18 80.39 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.014 0.435 . . . . 25.0 110.597 -176.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -66.51 -31.37 72.05 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 175.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 60.1 m -72.89 -44.47 61.25 Favored 'General case' 0 C--O 1.211 -0.969 0 N-CA-C 109.691 -0.485 . . . . 25.0 109.691 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 17.4 mt -60.5 -38.59 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 N-CA-C 109.823 -0.436 . . . . 25.0 109.823 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -63.92 -26.21 68.49 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.569 0.581 . . . . 25.0 112.569 178.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -105.92 -19.39 13.75 Favored 'General case' 0 C--O 1.212 -0.885 0 N-CA-C 113.554 0.946 . . . . 25.0 113.554 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 10.7 ttm -66.35 157.47 31.71 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 108.354 -0.98 . . . . 25.0 108.354 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -84.88 143.02 39.61 Favored Pre-proline 0 C--N 1.314 -0.95 0 N-CA-C 107.638 -1.245 . . . . 25.0 107.638 -176.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -74.69 148.32 36.64 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 CA-C-O 121.584 0.577 . . . . 25.0 112.594 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -111.59 127.33 55.7 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.422 -0.808 . . . . 25.0 113.086 -178.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 2.4 m -131.24 54.75 1.89 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.628 0.728 . . . . 25.0 109.582 178.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -100.94 -168.97 28.4 Favored Glycine 0 CA--C 1.521 0.43 0 CA-C-N 115.736 -0.665 . . . . 25.0 112.909 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -70.52 -28.51 21.5 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 CA-C-N 118.785 1.293 . . . . 25.0 114.626 -178.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -95.52 18.62 12.39 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.58 0.705 . . . . 25.0 109.845 -177.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 81.2 p -72.52 148.04 45.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 122.666 1.222 . . . . 25.0 113.731 -172.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 15.6 m -133.21 161.04 66.17 Favored Pre-proline 0 C--N 1.32 -0.688 0 N-CA-C 105.946 -1.872 . . . . 25.0 105.946 -178.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -60.24 91.36 0.09 OUTLIER 'Trans proline' 0 C--N 1.353 0.77 0 N-CA-C 114.949 1.096 . . . . 25.0 114.949 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 115.52 11.59 10.36 Favored Glycine 0 C--O 1.21 -1.403 0 CA-C-N 115.12 -0.946 . . . . 25.0 113.599 177.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -59.16 146.78 37.67 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 123.836 0.855 . . . . 25.0 109.385 177.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 11.6 mt -133.24 138.31 46.43 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.847 -0.615 . . . . 25.0 109.67 -175.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -90.0 111.07 22.04 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 105.344 -2.095 . . . . 25.0 105.344 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -80.38 -34.64 36.23 Favored 'General case' 0 CA--C 1.505 -0.761 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 -177.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 5.1 mmm -63.51 -29.04 70.37 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.439 0.637 . . . . 25.0 110.01 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 3.3 t -88.03 -12.99 42.75 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.653 0.982 . . . . 25.0 113.653 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -56.26 -43.91 79.19 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.268 0.84 . . . . 25.0 113.268 -177.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 50.8 m -64.36 -8.1 11.99 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 114.122 1.156 . . . . 25.0 114.122 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 32.5 p -109.25 -17.43 13.83 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.214 0.82 . . . . 25.0 113.214 178.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -158.03 144.33 17.45 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.782 0.66 . . . . 25.0 112.782 -177.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 C--N 1.328 -0.346 0 N-CA-C 105.746 -1.946 . . . . 25.0 105.746 177.177 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 . . . . . 0 C--O 1.224 -0.249 0 N-CA-C 110.342 -0.244 . . . . 25.0 110.342 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 747' ' ' GLN . . . . . 0.4 ' HA ' HE21 ' A' ' 747' ' ' GLN . 0.2 OUTLIER -61.39 -56.67 17.71 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.593 -0.443 . . . . 25.0 110.508 176.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 2.6 ptm -58.28 -26.17 62.67 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 119.98 -0.688 . . . . 25.0 111.073 179.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.62 -50.46 64.97 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 123.413 0.446 . . . . 25.0 111.173 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -72.44 -31.74 65.72 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 109.309 -0.626 . . . . 25.0 109.309 -178.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -62.15 -50.71 70.78 Favored 'General case' 0 C--O 1.243 0.735 0 N-CA-C 109.928 -0.397 . . . . 25.0 109.928 175.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -65.57 -40.99 93.38 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 120.373 -0.531 . . . . 25.0 111.645 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -70.51 -37.4 74.15 Favored 'General case' 0 C--O 1.21 -0.982 0 O-C-N 123.332 0.395 . . . . 25.0 111.117 -176.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 43.0 m -68.96 -42.36 76.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 119.038 0.835 . . . . 25.0 110.56 178.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.45 -44.55 84.84 Favored 'General case' 0 C--O 1.209 -1.038 0 N-CA-C 108.276 -1.009 . . . . 25.0 108.276 176.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.03 -31.23 65.98 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 115.584 1.698 . . . . 25.0 115.584 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -69.13 -30.77 69.11 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.186 -1.042 . . . . 25.0 108.186 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -91.31 -34.68 14.82 Favored 'General case' 0 CA--C 1.559 1.32 0 N-CA-C 108.373 -0.973 . . . . 25.0 108.373 -178.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 759' ' ' ASP . . . . . 0.445 ' HA ' HD21 ' A' ' 766' ' ' LEU . 48.3 t0 -92.93 71.88 4.73 Favored 'General case' 0 C--O 1.207 -1.156 0 C-N-CA 123.405 0.682 . . . . 25.0 109.494 -179.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -80.8 -2.09 45.73 Favored 'General case' 0 CA--C 1.496 -1.126 0 CA-C-N 114.358 -1.292 . . . . 25.0 111.533 -178.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -92.69 -16.19 25.81 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 108.426 -0.954 . . . . 25.0 108.426 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 61.17 34.66 18.81 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 113.996 -1.457 . . . . 25.0 112.691 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 69.8 m -74.38 -19.76 60.32 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.58 -0.282 . . . . 25.0 110.887 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 92.77 -0.79 70.51 Favored Glycine 0 C--O 1.243 0.678 0 N-CA-C 109.05 -1.62 . . . . 25.0 109.05 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 17.9 p -146.53 157.49 43.75 Favored 'General case' 0 N--CA 1.438 -1.071 0 O-C-N 124.444 0.732 . . . . 25.0 110.638 -174.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 766' ' ' LEU . . . . . 0.445 HD21 ' HA ' ' A' ' 759' ' ' ASP . 17.0 mt -136.92 170.22 16.46 Favored 'General case' 0 CA--C 1.492 -1.274 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 177.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.63 175.53 54.99 Favored Glycine 0 C--O 1.243 0.693 0 N-CA-C 110.463 -1.055 . . . . 25.0 110.463 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -70.12 -26.82 25.47 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 121.222 1.281 . . . . 25.0 112.274 -176.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -82.42 -38.99 23.26 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.349 -0.611 . . . . 25.0 109.349 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -67.65 -48.77 65.74 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 116.475 -0.329 . . . . 25.0 110.464 -177.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 771' ' ' PHE . . . . . 0.402 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -64.09 -30.53 71.6 Favored 'General case' 0 C--O 1.202 -1.43 0 C-N-CA 119.333 -0.947 . . . . 25.0 111.65 173.71 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -59.8 -46.04 90.45 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 119.363 0.983 . . . . 25.0 109.004 177.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -76.5 -23.17 53.75 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.49 -0.777 . . . . 25.0 111.987 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 42.4 t -61.89 -39.56 92.36 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 109.487 -0.56 . . . . 25.0 109.487 177.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 18.2 mt -63.76 -29.47 70.67 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-O 121.506 0.67 . . . . 25.0 111.982 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 66.3 mt -61.0 -33.21 54.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.365 -0.379 . . . . 25.0 110.11 -176.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 80.5 p -67.88 -17.74 64.58 Favored 'General case' 0 C--O 1.211 -0.942 0 C-N-CA 120.368 -0.533 . . . . 25.0 112.27 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 13.4 mt -91.85 -14.36 29.86 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.642 0.734 . . . . 25.0 109.912 177.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 117.5 23.55 3.72 Favored Glycine 0 C--O 1.226 -0.394 0 N-CA-C 115.019 0.768 . . . . 25.0 115.019 177.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -94.41 137.01 34.06 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.552 -0.969 . . . . 25.0 110.193 -176.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -88.13 46.39 1.38 Allowed 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 121.932 0.872 . . . . 25.0 113.32 -178.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 14.0 mt . . . . . 0 N--CA 1.474 0.749 0 CA-C-O 122.458 1.123 . . . . 25.0 108.393 -177.086 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.844 0 N-CA-C 110.741 -0.943 . . . . 25.0 110.741 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -59.74 -32.49 70.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.524 -0.986 . . . . 25.0 111.579 178.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -66.01 -35.6 81.0 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-O 120.795 0.331 . . . . 25.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -90.93 -17.05 27.05 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.921 -0.487 . . . . 25.0 109.976 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -79.38 -34.43 41.96 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 108.944 -0.761 . . . . 25.0 108.944 175.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.0 -32.32 69.59 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 122.025 -0.422 . . . . 25.0 112.057 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 4.9 ptt85 -83.58 -28.08 28.79 Favored 'General case' 0 C--O 1.211 -0.938 0 N-CA-C 109.88 -0.415 . . . . 25.0 109.88 177.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 47.5 mt -68.29 -47.93 75.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 O-C-N 122.098 -0.376 . . . . 25.0 110.318 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 12.4 ptt? -60.1 -27.55 67.11 Favored 'General case' 0 C--O 1.208 -1.113 0 O-C-N 121.997 -0.439 . . . . 25.0 111.74 -177.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 52.3 m -78.66 -16.04 57.78 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.438 -0.505 . . . . 25.0 111.735 -178.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 77.6 mt -92.65 -44.64 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.036 0 N-CA-C 109.455 -0.572 . . . . 25.0 109.455 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.457 ' HB ' HG13 ' A' ' 807' ' ' VAL . 22.3 m -82.76 -12.36 12.15 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 O-C-N 123.998 0.811 . . . . 25.0 111.704 -174.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -155.31 66.02 4.65 Favored Pre-proline 0 CA--C 1.557 1.214 0 CA-C-O 122.054 0.931 . . . . 25.0 111.431 -176.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -71.26 -13.96 31.13 Favored 'Trans proline' 0 CA--C 1.542 0.895 0 C-N-CA 115.202 -2.732 . . . . 25.0 112.867 178.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.24 -8.88 59.83 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 123.435 0.459 . . . . 25.0 110.151 -179.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 46.4 mmm-85 59.55 41.87 18.35 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 123.683 0.793 . . . . 25.0 111.748 178.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 82.5 mt -67.77 -25.58 65.68 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.067 0.947 . . . . 25.0 109.172 176.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 86.91 18.15 58.47 Favored Glycine 0 N--CA 1.436 -1.335 0 CA-C-N 115.068 -0.969 . . . . 25.0 112.218 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 16.3 m -143.93 154.56 15.71 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.6 0 N-CA-C 107.384 -1.339 . . . . 25.0 107.384 -176.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 807' ' ' VAL . . . . . 0.457 HG13 ' HB ' ' A' ' 799' ' ' VAL . 17.8 t -132.86 133.49 58.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 115.349 -0.842 . . . . 25.0 108.926 -177.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.31 158.57 15.39 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 108.177 -1.045 . . . . 25.0 108.177 -178.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -50.57 -43.89 56.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.918 0.866 . . . . 25.0 112.67 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -29.73 70.11 Favored 'General case' 0 C--O 1.211 -0.931 0 CA-C-N 115.857 -0.61 . . . . 25.0 110.934 -178.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -72.35 -41.73 66.1 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 119.619 -0.833 . . . . 25.0 112.187 -174.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.441 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 0.6 OUTLIER -66.86 -32.61 73.99 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 118.714 -1.194 . . . . 25.0 110.107 176.269 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 24.2 mm -64.55 -30.48 50.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 108.566 -0.902 . . . . 25.0 108.566 176.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -59.52 -39.98 85.64 Favored 'General case' 0 C--N 1.312 -1.047 0 C-N-CA 120.38 -0.528 . . . . 25.0 110.902 -176.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 815' ' ' PHE . . . . . 0.441 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 2.6 p90 . . . . . 0 C--N 1.32 -0.694 0 C-N-CA 119.762 -0.775 . . . . 25.0 112.499 176.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . 0.409 ' SD ' ' HB2' ' A' ' 883' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.207 -1.167 0 CA-C-O 120.792 0.33 . . . . 25.0 111.787 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -57.23 -39.39 75.42 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.973 -0.558 . . . . 25.0 110.597 177.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 97.6 p -64.6 -45.48 86.76 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.518 -0.739 . . . . 25.0 110.703 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -64.51 -41.1 96.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 118.134 0.425 . . . . 25.0 110.378 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -57.8 -32.27 67.38 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-O 121.432 0.634 . . . . 25.0 111.882 -175.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 69.8 mt -65.12 -42.26 93.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 108.763 -0.828 . . . . 25.0 108.763 -178.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.22 -24.68 23.2 Favored 'General case' 0 C--O 1.211 -0.96 0 C-N-CA 120.666 -0.414 . . . . 25.0 111.851 -177.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.613 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -89.03 -5.97 57.52 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 112.838 0.681 . . . . 25.0 112.838 -175.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -55.04 -27.87 46.95 Favored Glycine 0 C--N 1.338 0.658 0 N-CA-C 115.612 1.005 . . . . 25.0 115.612 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -71.64 -16.13 62.26 Favored 'General case' 0 C--O 1.211 -0.946 0 O-C-N 121.792 -0.828 . . . . 25.0 111.63 176.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -130.85 -159.84 1.0 Allowed 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 121.053 0.454 . . . . 25.0 110.429 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -125.69 14.42 8.09 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 172.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -154.05 176.84 11.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.471 -0.786 . . . . 25.0 110.163 -178.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . 0.613 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.3 OUTLIER -137.38 152.97 28.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.309 -0.997 . . . . 25.0 108.309 -175.569 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 34.6 p -103.47 162.17 13.26 Favored 'General case' 0 C--N 1.314 -0.951 0 O-C-N 121.048 -1.032 . . . . 25.0 111.9 173.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 75.6 mtm -59.81 -29.75 68.44 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 114.556 -1.202 . . . . 25.0 111.099 176.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -79.01 -39.8 33.11 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 122.969 1.366 . . . . 25.0 110.52 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -64.78 -47.05 79.54 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 114.812 -1.086 . . . . 25.0 112.89 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.4 pp -68.48 -17.1 64.11 Favored 'General case' 0 CA--C 1.55 0.97 0 O-C-N 121.25 -0.906 . . . . 25.0 109.572 -178.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.61 -16.62 63.42 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 109.85 -0.426 . . . . 25.0 109.85 177.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -75.21 -24.84 57.8 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.2 0.454 . . . . 25.0 110.168 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -82.65 -46.69 12.94 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 115.433 -0.803 . . . . 25.0 110.436 -178.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.55 84.25 56.04 Favored Pre-proline 0 CA--C 1.546 0.801 0 CA-C-N 115.476 -0.784 . . . . 25.0 109.348 -177.129 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -63.22 -23.11 72.73 Favored 'Trans proline' 0 CA--C 1.55 1.288 0 N-CA-C 118.589 2.496 . . . . 25.0 118.589 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -78.23 -168.62 0.63 Allowed 'Trans proline' 0 C--N 1.365 1.422 1 C-N-CA 112.794 -4.337 . . . . 25.0 112.051 176.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -50.33 -16.5 0.34 Allowed 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 116.037 1.866 . . . . 25.0 116.037 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -53.31 -38.32 63.07 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 121.921 -0.487 . . . . 25.0 111.426 175.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.88 -38.87 92.7 Favored 'General case' 0 C--O 1.21 -0.978 0 C-N-CA 120.462 -0.495 . . . . 25.0 111.895 174.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -68.1 -39.28 82.86 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.868 0.842 . . . . 25.0 109.086 -177.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -67.47 -30.65 70.42 Favored 'General case' 0 CA--C 1.518 -0.285 0 O-C-N 121.885 -0.51 . . . . 25.0 110.606 175.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 51.8 m -73.24 -45.41 56.14 Favored 'General case' 0 C--O 1.211 -0.937 0 N-CA-C 108.48 -0.933 . . . . 25.0 108.48 178.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 21.6 mt -60.45 -38.5 78.16 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.134 0 CA-C-N 118.605 0.638 . . . . 25.0 110.252 178.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.93 -8.08 20.38 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 114.053 1.131 . . . . 25.0 114.053 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -121.53 -37.12 2.94 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.994 -0.441 . . . . 25.0 111.796 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . 0.455 ' HG3' ' HB2' ' A' ' 882' ' ' PHE . 41.7 ttm -61.63 141.34 57.87 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 122.027 0.918 . . . . 25.0 113.031 -175.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -71.07 141.68 86.77 Favored Pre-proline 0 C--N 1.317 -0.832 0 CA-C-N 115.227 -0.897 . . . . 25.0 112.037 -172.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -73.46 151.79 48.2 Favored 'Trans proline' 0 CA--C 1.513 -0.544 0 CA-C-O 121.87 0.696 . . . . 25.0 112.836 176.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -109.45 142.3 40.65 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.586 -0.734 . . . . 25.0 111.303 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 9.9 t -141.88 135.0 29.06 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 103.276 -2.861 . . . . 25.0 103.276 173.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 173.09 -174.24 45.86 Favored Glycine 0 C--N 1.34 0.769 0 C-N-CA 119.851 -1.166 . . . . 25.0 110.549 -176.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -67.94 -31.64 30.53 Favored 'Trans proline' 0 C--N 1.347 0.492 0 CA-C-N 119.276 1.538 . . . . 25.0 114.803 -178.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -98.53 20.17 13.27 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 122.287 1.042 . . . . 25.0 109.339 -176.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 53.8 p -76.42 156.31 33.25 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 123.718 1.723 . . . . 25.0 114.602 -174.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 3.9 m -138.49 161.19 60.25 Favored Pre-proline 0 C--N 1.308 -1.214 0 N-CA-C 103.587 -2.745 . . . . 25.0 103.587 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -71.7 12.24 0.57 Allowed 'Trans proline' 0 C--N 1.369 1.617 0 N-CA-C 114.975 1.106 . . . . 25.0 114.975 -176.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -138.65 36.52 1.89 Allowed Glycine 0 C--O 1.218 -0.861 0 N-CA-C 109.815 -1.314 . . . . 25.0 109.815 174.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -95.04 139.82 30.86 Favored 'General case' 0 C--O 1.259 1.574 0 C-N-CA 123.09 0.556 . . . . 25.0 109.749 -178.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 57.5 mt -134.95 140.53 45.8 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 107.382 -1.34 . . . . 25.0 107.382 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -89.7 101.21 13.9 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 106.531 -1.655 . . . . 25.0 106.531 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -69.63 -38.05 77.03 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-N 115.158 -0.928 . . . . 25.0 109.291 -177.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 1.1 mmt -62.54 -26.95 68.83 Favored 'General case' 0 C--N 1.316 -0.853 0 O-C-N 121.281 -0.887 . . . . 25.0 109.26 -178.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 8.9 t -79.51 -28.71 41.39 Favored 'General case' 0 C--N 1.346 0.418 0 N-CA-C 113.899 1.074 . . . . 25.0 113.899 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . 0.455 ' HB2' ' HG3' ' A' ' 864' ' ' MET . 14.8 t80 -60.08 -36.56 77.65 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 113.661 0.986 . . . . 25.0 113.661 -177.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . 0.409 ' HB2' ' SD ' ' A' ' 830' ' ' MET . 22.3 t -58.86 -30.2 67.54 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.795 -0.762 . . . . 25.0 112.165 176.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 33.9 p -99.54 -18.23 17.49 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 121.415 -0.803 . . . . 25.0 113.138 -176.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -154.52 137.37 15.36 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 112.829 0.677 . . . . 25.0 112.829 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.323 -0.553 0 N-CA-C 104.163 -2.532 . . . . 25.0 104.163 176.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 C--O 1.217 -0.651 0 N-CA-C 110.583 -0.155 . . . . 25.0 110.583 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.25 -56.73 4.55 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 109.477 -0.564 . . . . 25.0 109.477 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 19.4 ptp -57.72 -25.11 59.92 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 119.703 -0.799 . . . . 25.0 110.917 178.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.57 -54.21 43.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.873 -0.603 . . . . 25.0 109.995 178.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -72.55 -33.59 66.93 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.856 -0.424 . . . . 25.0 109.856 -177.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -60.34 -43.11 96.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.056 0.455 . . . . 25.0 110.567 176.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 2.4 mtp85 -70.87 -41.85 70.84 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.611 -0.515 . . . . 25.0 109.611 178.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.14 93.51 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 113.234 0.828 . . . . 25.0 113.234 -178.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 10.3 t -68.56 -41.88 79.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 118.316 0.507 . . . . 25.0 109.916 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -40.57 94.61 Favored 'General case' 0 C--O 1.206 -1.209 0 N-CA-C 108.032 -1.099 . . . . 25.0 108.032 177.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.47 -29.21 65.7 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.75 1.018 . . . . 25.0 113.75 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -71.52 -35.31 70.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.237 0.541 . . . . 25.0 110.307 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -90.68 -37.53 13.68 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 115.949 -0.568 . . . . 25.0 109.982 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -91.67 70.49 5.77 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -74.19 -5.87 44.45 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.925 -1.034 . . . . 25.0 110.742 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -88.63 -14.21 38.01 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.425 -0.954 . . . . 25.0 108.425 177.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 54.03 36.89 25.67 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 114.458 -1.247 . . . . 25.0 113.03 -179.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 89.9 p -72.62 -21.77 61.06 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.74 -0.663 . . . . 25.0 109.91 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 97.9 -1.8 59.74 Favored Glycine 0 C--O 1.244 0.77 0 N-CA-C 111.204 -0.758 . . . . 25.0 111.204 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 3.9 p -146.43 161.9 39.41 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 123.216 0.607 . . . . 25.0 110.779 -176.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 766' ' ' LEU . . . . . 0.47 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 20.0 mt -143.29 173.41 11.62 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.841 -0.8 . . . . 25.0 108.841 176.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -78.49 175.07 54.99 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.897 -0.881 . . . . 25.0 110.897 -179.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -65.02 -34.85 45.65 Favored 'Trans proline' 0 C--O 1.215 -0.634 0 C-N-CA 121.683 1.589 . . . . 25.0 113.52 -177.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -81.87 -35.5 29.22 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 121.044 -0.262 . . . . 25.0 111.113 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . 0.4 ' HB2' ' HB3' ' A' ' 766' ' ' LEU . 74.7 mm-40 -64.26 -51.46 63.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.08 0.467 . . . . 25.0 110.041 -178.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 771' ' ' PHE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.2 OUTLIER -63.82 -25.4 68.16 Favored 'General case' 0 C--O 1.215 -0.763 0 O-C-N 121.536 -0.728 . . . . 25.0 112.778 174.599 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -70.66 -42.3 70.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 118.377 0.535 . . . . 25.0 110.172 177.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -73.06 -23.75 60.6 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.919 0.866 . . . . 25.0 110.571 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 14.0 t -64.74 -31.04 72.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.524 -0.762 . . . . 25.0 109.322 175.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . 0.431 ' HB3' ' CG ' ' A' ' 780' ' ' TYR . 14.7 mt -72.3 -33.84 67.71 Favored 'General case' 0 CA--C 1.51 -0.593 0 O-C-N 121.906 -0.496 . . . . 25.0 110.404 177.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.5 mt -58.31 -34.87 51.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.34 -0.615 . . . . 25.0 109.34 -178.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 49.8 m -62.92 -18.11 62.67 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 19.2 mt -94.61 -24.19 17.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.137 0.494 . . . . 25.0 109.946 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 126.17 26.66 1.19 Allowed Glycine 0 C--O 1.224 -0.525 0 N-CA-C 115.023 0.769 . . . . 25.0 115.023 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 780' ' ' TYR . . . . . 0.431 ' CG ' ' HB3' ' A' ' 775' ' ' LEU . 10.4 m-85 -94.44 135.13 36.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 117.93 0.865 . . . . 25.0 108.751 -178.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -88.07 48.95 1.71 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 122.277 1.037 . . . . 25.0 110.557 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 41.5 mt . . . . . 0 N--CA 1.469 0.501 0 CA-C-N 115.398 -0.819 . . . . 25.0 109.565 -175.24 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -1.298 0 N-CA-C 110.135 -1.186 . . . . 25.0 110.135 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.88 -29.01 70.24 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 120.987 -1.302 . . . . 25.0 112.608 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -65.23 -44.19 89.02 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.558 -0.534 . . . . 25.0 109.558 178.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -85.49 -19.06 31.79 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-O 122.152 0.977 . . . . 25.0 109.947 -175.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -77.87 -29.23 50.23 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 175.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -62.12 -34.97 77.33 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 120.896 0.379 . . . . 25.0 110.91 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.38 -32.45 48.89 Favored 'General case' 0 C--O 1.215 -0.745 0 N-CA-C 107.758 -1.201 . . . . 25.0 107.758 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 42.8 mt -66.75 -50.72 63.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.866 -0.42 . . . . 25.0 109.866 -176.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 20.1 ptt? -60.68 -26.14 66.89 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-O 120.865 0.364 . . . . 25.0 111.621 -178.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 44.1 m -78.87 -19.01 52.97 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.484 0.55 . . . . 25.0 112.484 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 67.3 mt -96.38 -45.79 12.97 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.634 0 CA-C-O 121.181 0.515 . . . . 25.0 110.734 -177.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.408 ' HB ' HG13 ' A' ' 807' ' ' VAL . 28.5 m -76.6 -14.67 14.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 120.948 0.404 . . . . 25.0 111.769 -177.074 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -150.95 68.89 8.3 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.455 -0.793 . . . . 25.0 111.882 -176.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -72.55 -14.52 27.6 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 118.013 -0.858 . . . . 25.0 112.064 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -86.66 -6.03 58.96 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 116.487 -0.324 . . . . 25.0 111.232 -178.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 57.98 46.12 17.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.765 0.793 . . . . 25.0 111.618 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 85.8 mt -72.14 -23.09 61.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.471 -1.241 . . . . 25.0 109.093 176.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.01 19.06 59.92 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.656 -0.702 . . . . 25.0 111.62 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 19.9 m -144.22 156.57 15.36 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 CA-C-O 121.179 0.514 . . . . 25.0 110.166 -176.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 807' ' ' VAL . . . . . 0.408 HG13 ' HB ' ' A' ' 799' ' ' VAL . 11.9 t -130.76 131.82 64.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.17 -0.678 . . . . 25.0 109.17 179.101 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 9.0 t -99.01 160.06 14.52 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.057 -0.349 . . . . 25.0 110.057 178.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -49.91 -44.39 50.16 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-O 121.502 0.667 . . . . 25.0 111.034 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.38 -20.85 60.65 Favored 'General case' 0 C--N 1.315 -0.899 0 O-C-N 121.48 -0.762 . . . . 25.0 111.0 -175.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -76.52 -40.35 50.29 Favored 'General case' 0 C--O 1.216 -0.679 0 C-N-CA 119.997 -0.681 . . . . 25.0 110.678 -177.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.441 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 0.8 OUTLIER -69.5 -30.54 68.43 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 119.102 -1.039 . . . . 25.0 109.787 178.48 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 20.9 mm -64.13 -26.96 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 121.355 0.597 . . . . 25.0 110.282 176.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -63.19 -43.44 98.17 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 121.566 -0.709 . . . . 25.0 109.806 -179.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 815' ' ' PHE . . . . . 0.441 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.1 p90 . . . . . 0 C--O 1.218 -0.577 0 C-N-CA 119.598 -0.841 . . . . 25.0 112.256 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.378 0 CA-C-O 120.672 0.273 . . . . 25.0 110.435 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.48 -36.44 78.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.175 -0.466 . . . . 25.0 110.092 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 6.1 t -65.76 -42.67 90.6 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.041 0.386 . . . . 25.0 112.041 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -66.83 -30.28 70.42 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 120.993 -1.067 . . . . 25.0 110.295 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -63.45 -20.59 65.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.957 -0.565 . . . . 25.0 111.53 -179.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 71.2 mt -73.74 -49.03 37.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 108.544 -0.91 . . . . 25.0 108.544 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.93 -27.83 26.29 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.041 -0.663 . . . . 25.0 111.168 -172.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.867 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -94.76 8.09 43.7 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 112.373 0.508 . . . . 25.0 112.373 -178.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -66.29 -22.71 71.24 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 107.718 -2.153 . . . . 25.0 107.718 172.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -64.24 -28.61 69.85 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.611 0.244 . . . . 25.0 110.877 175.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -129.83 -150.91 0.45 Allowed 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 109.098 -0.705 . . . . 25.0 109.098 -178.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -130.11 15.02 5.71 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 109.274 -0.639 . . . . 25.0 109.274 173.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . 0.412 ' HB3' ' CE1' ' A' ' 867' ' ' TYR . 9.2 p90 -158.58 178.76 9.78 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.409 -1.33 . . . . 25.0 107.409 -177.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . 0.867 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.4 OUTLIER -134.74 153.38 34.83 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.817 0 N-CA-C 108.815 -0.809 . . . . 25.0 108.815 -177.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 76.4 p -104.91 162.17 13.57 Favored 'General case' 0 CA--C 1.494 -1.176 0 N-CA-C 108.097 -1.075 . . . . 25.0 108.097 175.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 72.9 mtm -59.1 -33.71 71.16 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.003 -0.999 . . . . 25.0 110.082 176.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -73.47 -41.08 63.6 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.786 -0.643 . . . . 25.0 110.457 -178.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -67.41 -48.02 68.55 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.787 -0.642 . . . . 25.0 111.234 -177.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.6 pp -64.33 -26.19 68.37 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.89 -0.724 . . . . 25.0 110.607 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -71.79 -11.48 60.83 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.714 -0.616 . . . . 25.0 112.251 178.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -68.79 -30.0 68.48 Favored 'General case' 0 C--O 1.22 -0.485 0 O-C-N 121.318 -0.864 . . . . 25.0 108.867 176.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -83.96 -39.49 19.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.595 0.712 . . . . 25.0 110.84 -175.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.52 80.14 72.49 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.545 -0.752 . . . . 25.0 109.5 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -61.08 -27.66 84.67 Favored 'Trans proline' 0 CA--C 1.559 1.729 0 N-CA-C 119.214 2.736 . . . . 25.0 119.214 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -78.72 -159.74 0.11 Allowed 'Trans proline' 0 C--N 1.364 1.354 0 C-N-CA 113.962 -3.559 . . . . 25.0 112.84 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.81 -20.34 2.15 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 114.468 1.284 . . . . 25.0 114.468 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -53.55 -39.41 64.71 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.471 0.545 . . . . 25.0 112.471 176.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.96 -38.76 92.04 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-O 120.899 0.381 . . . . 25.0 110.824 178.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -67.68 -37.8 82.84 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.069 0.461 . . . . 25.0 109.839 -177.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -66.94 -31.71 72.47 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.353 -0.61 . . . . 25.0 109.353 175.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 63.2 m -71.43 -43.04 67.46 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 110.056 -0.35 . . . . 25.0 110.056 178.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 24.7 mt -62.59 -38.14 80.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 N-CA-C 109.537 -0.542 . . . . 25.0 109.537 179.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -66.41 -9.41 33.5 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.902 -0.59 . . . . 25.0 112.582 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -116.57 -36.58 3.91 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.116 0.784 . . . . 25.0 113.116 -179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.07 146.99 45.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.685 0.755 . . . . 25.0 112.696 -175.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -73.32 145.23 85.21 Favored Pre-proline 0 N--CA 1.442 -0.837 0 CA-C-N 115.233 -0.894 . . . . 25.0 109.182 -176.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -76.4 149.8 31.6 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 CA-C-O 121.534 0.556 . . . . 25.0 113.018 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . 0.412 ' CE1' ' HB3' ' A' ' 842' ' ' TYR . 62.9 t80 -117.27 133.02 56.48 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.835 -0.62 . . . . 25.0 112.211 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 6.1 t -140.32 38.81 1.9 Allowed 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 107.716 -1.216 . . . . 25.0 107.716 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -84.76 -164.78 38.79 Favored Glycine 0 CA--C 1.521 0.439 0 CA-C-N 115.165 -0.925 . . . . 25.0 114.486 -176.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -69.62 -25.24 29.43 Favored 'Trans proline' 0 C--N 1.345 0.369 0 N-CA-C 115.492 1.305 . . . . 25.0 115.492 -176.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -108.6 37.63 2.47 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 107.706 -1.22 . . . . 25.0 107.706 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 79.0 p -81.79 150.4 27.91 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 114.466 1.284 . . . . 25.0 114.466 -176.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 9.7 m -135.87 163.85 47.48 Favored Pre-proline 0 C--N 1.318 -0.766 0 N-CA-C 103.796 -2.668 . . . . 25.0 103.796 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -67.92 -7.61 20.17 Favored 'Trans proline' 0 CA--C 1.537 0.629 0 N-CA-C 115.421 1.277 . . . . 25.0 115.421 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -117.11 33.19 5.14 Favored Glycine 0 C--O 1.228 -0.254 0 N-CA-C 111.589 -0.604 . . . . 25.0 111.589 177.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -92.37 139.81 30.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.773 0.796 . . . . 25.0 112.159 -176.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 51.0 mt -136.16 140.73 43.85 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 107.914 -1.143 . . . . 25.0 107.914 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -90.74 106.79 18.75 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 107.255 -1.387 . . . . 25.0 107.255 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -74.97 -38.12 61.76 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 108.303 -0.999 . . . . 25.0 108.303 -177.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 3.8 ttp -64.63 -21.76 66.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.346 0.593 . . . . 25.0 110.173 -176.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 4.9 t -92.26 -9.7 41.17 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.853 0.686 . . . . 25.0 112.853 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -62.73 -40.48 97.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.837 -0.539 . . . . 25.0 112.373 -177.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 46.3 m -61.66 -15.49 40.31 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.326 0.861 . . . . 25.0 113.326 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 71.6 p -108.79 -15.18 14.45 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.694 0.627 . . . . 25.0 112.694 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -158.81 129.18 5.95 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.05 0.389 . . . . 25.0 112.05 -177.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 C--N 1.324 -0.523 0 N-CA-C 105.024 -2.213 . . . . 25.0 105.024 175.142 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.219 -0.519 0 N-CA-C 111.36 0.133 . . . . 25.0 111.36 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.05 -58.08 3.54 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 109.441 -0.577 . . . . 25.0 109.441 -179.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 22.6 ptp -56.75 -26.42 57.27 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.961 -0.696 . . . . 25.0 111.471 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -56.09 23.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.962 -0.563 . . . . 25.0 110.148 179.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -72.58 -32.16 65.8 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.351 -0.386 . . . . 25.0 110.545 -177.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -60.15 -49.42 77.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.02 0.438 . . . . 25.0 109.999 175.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -65.08 -42.19 94.34 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 109.733 -0.469 . . . . 25.0 109.733 -179.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.39 -38.93 91.48 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.29 0.478 . . . . 25.0 112.29 -178.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 45.9 m -66.53 -45.46 79.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 118.194 0.452 . . . . 25.0 110.814 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -39.94 91.33 Favored 'General case' 0 C--O 1.208 -1.108 0 N-CA-C 108.69 -0.856 . . . . 25.0 108.69 177.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.71 -31.02 67.72 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 179.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -68.58 -35.65 77.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.144 -0.347 . . . . 25.0 110.259 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -88.07 -38.6 15.29 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.985 -0.552 . . . . 25.0 109.857 178.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 759' ' ' ASP . . . . . 0.468 ' HA ' HD21 ' A' ' 766' ' ' LEU . 57.1 t0 -88.3 68.84 9.04 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 122.512 1.149 . . . . 25.0 108.402 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -75.61 -2.41 29.13 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.546 -1.206 . . . . 25.0 110.744 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -97.89 -0.46 44.94 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 178.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 19.8 p80 40.28 40.77 0.88 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.238 1.415 . . . . 25.0 114.24 -177.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 45.4 t -71.36 -23.02 61.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.818 -0.628 . . . . 25.0 110.552 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 92.58 0.61 69.41 Favored Glycine 0 C--O 1.239 0.461 0 N-CA-C 109.838 -1.305 . . . . 25.0 109.838 -177.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -149.95 154.65 38.63 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 123.381 0.672 . . . . 25.0 109.518 -175.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 766' ' ' LEU . . . . . 0.468 HD21 ' HA ' ' A' ' 759' ' ' ASP . 19.7 mt -137.15 174.44 10.61 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.233 -1.025 . . . . 25.0 108.233 177.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.92 173.77 54.72 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 110.63 -0.988 . . . . 25.0 110.63 -179.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.69 -33.63 34.5 Favored 'Trans proline' 0 C--O 1.222 -0.287 0 CA-C-N 118.426 1.113 . . . . 25.0 113.06 -177.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -79.18 -35.72 41.4 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.867 0.365 . . . . 25.0 110.718 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -64.33 -55.42 21.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.837 0.351 . . . . 25.0 110.285 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 771' ' ' PHE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -58.9 -31.26 68.46 Favored 'General case' 0 C--O 1.213 -0.827 0 N-CA-C 112.608 0.596 . . . . 25.0 112.608 175.106 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -63.95 -45.34 89.58 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.755 0.707 . . . . 25.0 110.223 177.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -72.11 -24.94 61.56 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.257 0.551 . . . . 25.0 110.602 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 50.6 t -65.29 -28.51 69.38 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.921 -0.4 . . . . 25.0 109.921 176.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . 0.411 ' HB3' ' CG ' ' A' ' 780' ' ' TYR . 15.6 mt -70.9 -33.98 71.11 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-O 121.78 0.8 . . . . 25.0 109.966 178.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 62.6 mt -58.83 -35.27 55.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.703 -0.48 . . . . 25.0 109.703 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 19.4 t -62.3 -19.83 63.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.355 -0.384 . . . . 25.0 111.996 178.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 20.3 mt -94.67 -21.61 18.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.708 0.289 . . . . 25.0 110.606 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 120.18 34.37 0.96 Allowed Glycine 0 C--O 1.225 -0.449 0 CA-C-N 115.866 -0.607 . . . . 25.0 114.29 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 780' ' ' TYR . . . . . 0.411 ' CG ' ' HB3' ' A' ' 775' ' ' LEU . 10.1 m-85 -101.47 133.19 46.49 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.804 -0.813 . . . . 25.0 108.804 -179.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -84.24 50.04 1.78 Allowed 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 121.843 0.83 . . . . 25.0 110.35 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 53.6 mt . . . . . 0 C--N 1.329 -0.309 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 -175.316 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.206 -1.652 0 N-CA-C 110.203 -1.159 . . . . 25.0 110.203 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -60.34 -35.25 75.21 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 118.054 0.927 . . . . 25.0 111.834 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.71 -36.09 82.72 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.196 -0.298 . . . . 25.0 110.196 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -94.31 -14.15 25.7 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.294 0.569 . . . . 25.0 111.309 -178.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -78.96 -33.28 45.38 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.544 -0.91 . . . . 25.0 108.544 173.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -61.23 -30.84 70.69 Favored 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 111.706 0.262 . . . . 25.0 111.706 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.81 -34.65 45.15 Favored 'General case' 0 C--O 1.208 -1.111 0 CA-C-O 122.053 0.93 . . . . 25.0 109.75 176.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 45.9 mt -64.23 -50.68 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 CA-C-N 114.688 -1.142 . . . . 25.0 109.444 -176.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 17.1 ptt? -62.43 -24.49 67.44 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.91 0.386 . . . . 25.0 111.165 -176.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 62.6 m -78.72 -19.42 52.41 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 112.362 0.505 . . . . 25.0 112.362 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 70.1 mt -94.86 -45.22 13.43 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.497 0 CA-C-O 121.337 0.589 . . . . 25.0 110.029 -177.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.44 ' HB ' HG13 ' A' ' 807' ' ' VAL . 27.0 m -76.11 -14.1 14.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.759 -0.655 . . . . 25.0 112.149 -177.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -149.71 68.27 8.98 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-O 121.746 0.784 . . . . 25.0 111.444 -177.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -74.31 -13.11 23.13 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 117.222 -1.385 . . . . 25.0 111.533 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.84 -7.63 59.4 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 116.185 -0.461 . . . . 25.0 111.158 -178.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 58.87 46.91 13.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.979 0.895 . . . . 25.0 111.861 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 83.1 mt -73.89 -25.17 59.88 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.098 -1.41 . . . . 25.0 108.822 176.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 84.76 18.12 62.24 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.384 -0.825 . . . . 25.0 111.503 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 15.0 m -147.83 160.06 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 108.796 -0.816 . . . . 25.0 108.796 -175.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 807' ' ' VAL . . . . . 0.44 HG13 ' HB ' ' A' ' 799' ' ' VAL . 10.7 t -129.79 131.86 66.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.015 -0.539 . . . . 25.0 110.31 -178.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 8.0 t -97.7 159.48 14.9 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 109.662 -0.496 . . . . 25.0 109.662 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -50.73 -44.37 58.29 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-O 121.603 0.716 . . . . 25.0 111.285 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -21.09 61.42 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.578 -0.701 . . . . 25.0 110.341 -174.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -76.65 -41.71 44.69 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 119.787 -0.765 . . . . 25.0 110.957 -176.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.418 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 0.7 OUTLIER -67.19 -30.35 70.27 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 119.657 -0.817 . . . . 25.0 110.209 178.283 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 22.0 mm -63.42 -26.51 40.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 121.231 0.539 . . . . 25.0 110.522 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -63.0 -46.4 87.83 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 119.119 -1.033 . . . . 25.0 109.78 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 815' ' ' PHE . . . . . 0.418 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.8 p90 . . . . . 0 CA--C 1.51 -0.591 0 O-C-N 120.877 -1.139 . . . . 25.0 111.712 -178.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 15.6 ttm . . . . . 0 CA--C 1.514 -0.415 0 N-CA-C 109.675 -0.491 . . . . 25.0 109.675 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -55.55 -37.62 68.24 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.265 -0.425 . . . . 25.0 110.63 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 15.4 m -70.48 -41.96 72.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.065 0.46 . . . . 25.0 111.078 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -63.86 -36.61 84.49 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-O 121.161 0.505 . . . . 25.0 109.711 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -63.99 -19.5 65.21 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.758 0.651 . . . . 25.0 112.758 -178.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 61.7 mt -81.72 -44.53 20.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.215 -0.661 . . . . 25.0 109.215 178.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.22 -33.0 24.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.356 0.598 . . . . 25.0 110.989 -173.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.503 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -108.78 17.54 21.75 Favored 'General case' 0 C--O 1.206 -1.204 0 CA-C-N 115.557 -0.747 . . . . 25.0 112.329 -177.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -66.3 -19.95 68.92 Favored Glycine 0 C--O 1.223 -0.555 0 N-CA-C 107.742 -2.143 . . . . 25.0 107.742 171.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -74.87 -23.84 58.47 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.426 -0.887 . . . . 25.0 111.739 176.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -123.66 -175.6 3.25 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.867 -0.521 . . . . 25.0 110.206 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -106.62 8.76 31.34 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.64 -0.663 . . . . 25.0 109.769 174.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -156.85 178.75 9.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.571 -0.286 . . . . 25.0 110.315 -177.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . 0.503 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.4 OUTLIER -136.53 152.12 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 N-CA-C 108.68 -0.859 . . . . 25.0 108.68 -177.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 54.9 p -102.13 160.68 14.3 Favored 'General case' 0 C--N 1.315 -0.912 0 O-C-N 121.365 -0.835 . . . . 25.0 110.125 173.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 66.0 mtm -58.61 -33.67 70.27 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-N 114.78 -1.1 . . . . 25.0 111.137 177.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -74.05 -35.9 64.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.631 0.729 . . . . 25.0 111.319 -178.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -68.65 -49.23 60.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.088 -0.506 . . . . 25.0 111.763 -178.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.26 -27.36 67.89 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.733 -0.605 . . . . 25.0 110.699 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -67.59 -25.7 65.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.423 -0.353 . . . . 25.0 111.455 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -23.44 60.61 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.855 -0.528 . . . . 25.0 110.001 -179.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -83.79 -39.91 19.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.516 -0.766 . . . . 25.0 109.785 -176.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.67 80.44 71.93 Favored Pre-proline 0 C--O 1.22 -0.449 0 CA-C-N 115.706 -0.679 . . . . 25.0 109.598 178.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.48 -32.37 73.17 Favored 'Trans proline' 0 CA--C 1.552 1.376 0 N-CA-C 119.011 2.658 . . . . 25.0 119.011 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -76.28 -168.43 0.56 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 115.041 -2.839 . . . . 25.0 112.972 178.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -50.61 -16.48 0.38 Allowed 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 115.632 1.716 . . . . 25.0 115.632 -178.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -52.59 -39.79 61.95 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.849 -0.532 . . . . 25.0 110.878 176.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.27 -41.59 96.86 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 120.486 0.184 . . . . 25.0 110.812 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -68.14 -39.75 82.61 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.98 0.419 . . . . 25.0 110.056 -177.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -65.9 -29.68 70.15 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.471 -0.566 . . . . 25.0 109.471 176.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 36.4 m -73.0 -43.9 61.63 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 109.093 -0.706 . . . . 25.0 109.093 178.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 20.9 mt -62.64 -38.89 82.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.581 -0.526 . . . . 25.0 109.581 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.62 -6.64 11.76 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.197 0.814 . . . . 25.0 113.197 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -124.17 -34.03 3.0 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 114.593 1.331 . . . . 25.0 114.593 178.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 38.1 ttm -59.93 149.66 31.1 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.586 0.708 . . . . 25.0 112.747 -174.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -75.34 141.12 73.2 Favored Pre-proline 0 N--CA 1.441 -0.881 0 CA-C-N 115.733 -0.667 . . . . 25.0 109.299 -173.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -74.85 150.8 39.49 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 CA-C-O 121.419 0.508 . . . . 25.0 111.242 178.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -105.53 133.78 49.72 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 112.968 0.729 . . . . 25.0 112.968 -178.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 55.0 m -130.87 110.85 11.59 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 106.249 -1.759 . . . . 25.0 106.249 174.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -169.69 -173.24 37.02 Favored Glycine 0 C--N 1.323 -0.151 0 C-N-CA 120.086 -1.054 . . . . 25.0 112.286 -178.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.13 -27.3 24.87 Favored 'Trans proline' 0 C--O 1.218 -0.506 0 CA-C-N 119.048 1.424 . . . . 25.0 114.67 -176.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -94.59 16.19 16.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.228 0.537 . . . . 25.0 110.18 -178.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 54.7 p -70.96 151.37 44.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.82 1.295 . . . . 25.0 114.202 -172.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 4.9 m -142.1 160.18 56.14 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 102.571 -3.122 . . . . 25.0 102.571 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -60.32 -16.21 39.74 Favored 'Trans proline' 0 C--N 1.35 0.606 0 N-CA-C 115.028 1.126 . . . . 25.0 115.028 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -110.75 31.65 7.16 Favored Glycine 0 C--O 1.226 -0.352 0 C-N-CA 121.713 -0.279 . . . . 25.0 113.082 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -92.74 136.38 33.29 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.151 0.5 . . . . 25.0 111.568 -179.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 47.7 mt -134.36 140.11 46.1 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.66 -1.237 . . . . 25.0 107.66 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -88.54 108.52 19.46 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 107.34 -1.356 . . . . 25.0 107.34 178.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -79.74 -32.54 41.1 Favored 'General case' 0 CA--C 1.491 -1.301 0 CA-C-N 115.446 -0.797 . . . . 25.0 109.428 -177.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -29.73 70.6 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.201 -1.037 . . . . 25.0 108.201 -178.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.0 t -86.25 -15.14 41.7 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 114.004 1.113 . . . . 25.0 114.004 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -58.04 -43.29 86.76 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 115.115 1.524 . . . . 25.0 115.115 -174.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 69.8 m -66.05 -17.62 64.81 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.594 0.961 . . . . 25.0 113.594 -178.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 13.8 t -109.3 -6.37 15.54 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 111.871 0.323 . . . . 25.0 111.871 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -153.75 119.72 5.36 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.254 0.55 . . . . 25.0 112.397 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 CA--C 1.511 -0.541 0 N-CA-C 105.467 -2.049 . . . . 25.0 105.467 176.212 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 CA--C 1.504 -0.789 0 N-CA-C 108.297 -1.001 . . . . 25.0 108.297 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -62.42 1.9 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.776 -1.102 . . . . 25.0 110.921 177.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.58 -28.8 48.75 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 121.93 -0.481 . . . . 25.0 111.658 178.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.43 -55.27 22.05 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.273 -0.421 . . . . 25.0 110.907 -178.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -69.33 -31.89 70.63 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.881 -0.414 . . . . 25.0 109.881 -177.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -59.41 -42.42 91.76 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.183 0.516 . . . . 25.0 109.938 176.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 33.1 mtp85 -75.05 -41.2 59.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.487 -0.324 . . . . 25.0 110.381 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -66.87 -39.48 87.55 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.966 0.728 . . . . 25.0 112.966 -177.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 15.9 t -67.68 -43.65 79.67 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 118.353 0.524 . . . . 25.0 110.152 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -40.98 89.3 Favored 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 177.3 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.29 -30.67 67.73 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.495 0.554 . . . . 25.0 112.495 179.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -68.86 -35.19 76.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.039 -0.413 . . . . 25.0 109.994 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -90.31 -33.19 16.2 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 116.22 -0.445 . . . . 25.0 110.993 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 759' ' ' ASP . . . . . 0.451 ' HA ' HD21 ' A' ' 766' ' ' LEU . 47.7 t0 -91.3 70.4 6.09 Favored 'General case' 0 CA--C 1.502 -0.888 0 CA-C-O 122.251 1.024 . . . . 25.0 108.751 -178.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -79.33 -1.8 38.53 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.724 -1.125 . . . . 25.0 110.785 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -89.98 -11.46 41.58 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 106.719 -1.586 . . . . 25.0 106.719 175.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 51.36 38.46 21.72 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.218 -1.355 . . . . 25.0 113.104 178.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 96.6 p -78.08 -20.03 53.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.601 -0.727 . . . . 25.0 111.176 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 95.0 2.46 62.49 Favored Glycine 0 C--O 1.246 0.878 0 N-CA-C 110.192 -1.163 . . . . 25.0 110.192 -178.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.3 p -146.37 165.6 28.83 Favored 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 123.504 0.721 . . . . 25.0 109.377 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 766' ' ' LEU . . . . . 0.469 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 15.9 mt -145.18 174.92 10.66 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 106.506 -1.664 . . . . 25.0 106.506 174.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -85.08 178.65 50.93 Favored Glycine 0 N--CA 1.445 -0.756 0 N-CA-C 109.139 -1.584 . . . . 25.0 109.139 179.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -70.96 -29.48 18.1 Favored 'Trans proline' 0 C--O 1.223 -0.259 0 CA-C-N 117.938 0.869 . . . . 25.0 113.75 -175.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -80.37 -37.52 32.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.541 0.686 . . . . 25.0 109.724 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -66.7 -52.99 38.29 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.77 -0.65 . . . . 25.0 110.481 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 771' ' ' PHE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -59.73 -31.61 69.78 Favored 'General case' 0 C--O 1.211 -0.948 0 C-N-CA 120.29 -0.564 . . . . 25.0 112.195 174.329 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -61.45 -47.83 83.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 119.24 0.927 . . . . 25.0 109.625 177.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.04 -25.95 62.88 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.117 0.484 . . . . 25.0 111.498 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 43.8 t -62.84 -32.12 73.27 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.628 -0.508 . . . . 25.0 109.628 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . 0.42 ' HB3' ' CG ' ' A' ' 780' ' ' TYR . 13.2 mt -72.52 -31.6 65.45 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-O 120.971 0.415 . . . . 25.0 111.645 178.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.1 mt -58.92 -35.77 58.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.072 -0.714 . . . . 25.0 109.072 -177.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 23.2 t -64.15 -17.99 64.01 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 112.352 0.501 . . . . 25.0 112.352 178.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 20.1 mt -94.93 -16.78 22.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.998 0.428 . . . . 25.0 110.596 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 115.83 37.18 1.08 Allowed Glycine 0 C--O 1.224 -0.505 0 CA-C-N 115.497 -0.774 . . . . 25.0 114.288 178.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 780' ' ' TYR . . . . . 0.42 ' CG ' ' HB3' ' A' ' 775' ' ' LEU . 11.3 m-85 -104.65 131.08 52.5 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 -179.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -84.05 54.47 2.94 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.849 0.833 . . . . 25.0 110.781 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 38.8 mt . . . . . 0 C--N 1.327 -0.392 0 CA-C-O 121.492 0.663 . . . . 25.0 109.568 -176.151 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.212 -1.276 0 N-CA-C 110.82 -0.912 . . . . 25.0 110.82 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -59.52 -30.65 68.74 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 118.649 1.224 . . . . 25.0 113.157 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -64.79 -36.67 85.07 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 121.078 -0.249 . . . . 25.0 110.932 177.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -90.03 -25.29 20.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.789 0.804 . . . . 25.0 110.071 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.95 -34.32 73.26 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 108.1 -1.074 . . . . 25.0 108.1 178.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.95 -34.2 72.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.04 0.448 . . . . 25.0 111.593 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -83.55 -28.36 28.65 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 109.109 -0.7 . . . . 25.0 109.109 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 41.0 mt -68.59 -48.86 69.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.881 -0.415 . . . . 25.0 109.881 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 19.5 ptt? -61.41 -28.82 69.53 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 121.064 0.459 . . . . 25.0 111.241 -177.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 57.2 m -70.6 -20.38 62.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.446 -0.343 . . . . 25.0 111.912 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 71.7 mt -96.01 -44.66 13.0 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.553 0 CA-C-O 121.028 0.442 . . . . 25.0 111.889 -177.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.449 ' HB ' HG13 ' A' ' 807' ' ' VAL . 33.5 m -79.84 -8.25 11.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 113.487 0.921 . . . . 25.0 113.487 -175.057 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -139.42 64.02 29.9 Favored Pre-proline 0 C--N 1.321 -0.655 0 N-CA-C 107.988 -1.115 . . . . 25.0 107.988 -178.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -78.77 -17.45 12.36 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 116.433 -1.911 . . . . 25.0 115.022 -172.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . 0.869 ' HB2' HD11 ' A' ' 804' ' ' LEU . 0.9 OUTLIER -88.48 -10.09 50.25 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 118.198 0.454 . . . . 25.0 109.858 -176.57 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 81.44 42.78 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.112 0 CA-C-O 124.73 2.205 . . . . 25.0 112.15 173.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 804' ' ' LEU . . . . . 0.869 HD11 ' HB2' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -80.34 -23.55 40.48 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 110.465 -3.061 . . . . 25.0 112.096 -176.039 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 79.09 18.68 74.11 Favored Glycine 0 C--O 1.243 0.678 0 CA-C-N 114.25 -1.341 . . . . 25.0 111.673 175.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 15.5 m -143.7 149.71 17.77 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 CA-C-O 121.969 0.89 . . . . 25.0 110.119 -175.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 807' ' ' VAL . . . . . 0.449 HG13 ' HB ' ' A' ' 799' ' ' VAL . 9.5 t -119.88 126.78 75.65 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.527 -0.761 . . . . 25.0 108.972 -178.305 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 8.3 t -97.35 159.46 14.91 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.827 -0.624 . . . . 25.0 109.459 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -50.7 -44.01 57.84 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-O 121.469 0.652 . . . . 25.0 111.064 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -20.61 61.09 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 121.518 -0.738 . . . . 25.0 110.287 -174.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -77.59 -41.24 39.41 Favored 'General case' 0 C--O 1.217 -0.625 0 C-N-CA 119.885 -0.726 . . . . 25.0 110.949 -177.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.437 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.1 p90 -68.08 -30.02 69.1 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 119.066 -1.054 . . . . 25.0 110.274 178.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 19.7 mm -64.43 -27.64 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-O 121.579 0.704 . . . . 25.0 110.039 176.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -61.73 -41.33 97.5 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.41 0.624 . . . . 25.0 110.573 -179.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 815' ' ' PHE . . . . . 0.437 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.0 p90 . . . . . 0 C--O 1.214 -0.796 0 C-N-CA 119.841 -0.744 . . . . 25.0 112.682 178.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.227 0 N-CA-C 109.87 -0.419 . . . . 25.0 109.87 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.58 -36.64 78.99 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 116.193 -0.458 . . . . 25.0 109.797 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 40.8 m -58.88 -41.29 86.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.997 0.427 . . . . 25.0 111.287 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -73.21 -34.76 66.13 Favored 'General case' 0 C--O 1.22 -0.483 0 O-C-N 121.638 -0.664 . . . . 25.0 110.39 178.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -64.12 -18.77 64.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.451 -0.795 . . . . 25.0 112.022 -178.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 68.5 mt -73.85 -49.51 34.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.275 -1.009 . . . . 25.0 108.275 177.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.79 -28.15 26.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.698 0.761 . . . . 25.0 111.575 -171.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.651 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -108.58 17.46 21.97 Favored 'General case' 0 C--O 1.206 -1.233 0 CA-C-N 115.701 -0.681 . . . . 25.0 112.231 -177.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -61.69 -26.41 66.78 Favored Glycine 0 C--N 1.316 -0.533 0 N-CA-C 108.346 -1.901 . . . . 25.0 108.346 172.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -70.23 -21.52 63.0 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 176.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -130.51 -178.09 4.63 Favored 'General case' 0 C--O 1.21 -0.988 0 CA-C-N 118.942 0.792 . . . . 25.0 111.023 -177.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -104.45 11.09 34.91 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.932 -0.766 . . . . 25.0 108.932 175.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -157.81 176.98 11.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.315 -0.402 . . . . 25.0 110.252 -176.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . 0.651 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.4 OUTLIER -135.7 155.02 35.58 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 N-CA-C 109.02 -0.734 . . . . 25.0 109.02 -177.192 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 41.0 p -108.41 160.23 16.04 Favored 'General case' 0 C--N 1.313 -1.018 0 O-C-N 121.112 -0.992 . . . . 25.0 109.255 173.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 72.1 mtm -60.44 -35.45 75.85 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.773 -1.103 . . . . 25.0 109.354 175.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -67.41 -30.35 70.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.396 -0.82 . . . . 25.0 112.005 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . 0.504 ' CD ' HH21 ' A' ' 850' ' ' ARG . 47.4 mm-40 -77.5 -55.85 5.03 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.763 -0.375 . . . . 25.0 110.365 177.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.1 pp -63.49 -26.42 68.71 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.397 0.517 . . . . 25.0 112.397 -175.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 36.3 ptt85 -69.76 -13.13 62.13 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 120.22 -0.592 . . . . 25.0 112.496 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . 0.504 HH21 ' CD ' ' A' ' 847' ' ' GLU . 3.2 ptp180 -81.1 -29.17 34.95 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.219 0.533 . . . . 25.0 109.984 -179.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -82.7 -40.83 20.1 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.962 -1.017 . . . . 25.0 110.67 -174.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.75 79.36 56.4 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 108.78 -0.822 . . . . 25.0 108.78 177.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -63.23 -21.76 72.24 Favored 'Trans proline' 0 CA--C 1.553 1.431 0 N-CA-C 119.595 2.883 . . . . 25.0 119.595 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -79.74 -162.66 0.19 Allowed 'Trans proline' 0 C--N 1.363 1.307 1 C-N-CA 113.229 -4.047 . . . . 25.0 111.825 175.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.7 -20.34 0.8 Allowed 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.534 1.309 . . . . 25.0 114.534 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -52.69 -38.24 60.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.008 -0.433 . . . . 25.0 111.791 177.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.11 -43.23 99.03 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-O 120.8 0.333 . . . . 25.0 110.377 178.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -68.54 -41.73 79.45 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.289 0.566 . . . . 25.0 109.559 -176.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -65.08 -26.6 68.3 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.568 176.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 30.8 m -76.44 -44.73 34.47 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 177.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 22.6 mt -60.63 -38.64 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 109.487 -0.56 . . . . 25.0 109.487 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.25 -9.88 20.11 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.894 1.072 . . . . 25.0 113.894 178.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -124.1 -24.06 4.45 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 114.214 1.191 . . . . 25.0 114.214 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 2.1 ttm -63.51 144.64 56.82 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.787 -0.449 . . . . 25.0 109.787 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -71.86 144.96 88.69 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 108.235 -1.024 . . . . 25.0 108.235 -176.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -75.22 145.94 31.32 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 CA-C-O 121.475 0.531 . . . . 25.0 111.326 177.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -105.75 128.99 54.04 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 113.184 0.809 . . . . 25.0 113.184 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 4.0 m -135.99 60.43 1.68 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.68 0.752 . . . . 25.0 109.31 177.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -111.39 -168.75 18.68 Favored Glycine 0 CA--C 1.519 0.314 0 CA-C-N 115.574 -0.739 . . . . 25.0 112.695 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -70.16 -28.82 22.85 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 CA-C-N 118.934 1.367 . . . . 25.0 114.88 -178.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -92.64 19.11 7.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.541 0.686 . . . . 25.0 110.186 -178.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 78.6 p -73.76 148.35 42.64 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 122.752 1.263 . . . . 25.0 114.328 -172.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 13.0 m -137.27 162.33 55.89 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 104.714 -2.328 . . . . 25.0 104.714 -177.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -74.78 47.98 1.82 Allowed 'Trans proline' 0 CA--C 1.546 1.112 0 C-N-CA 120.813 1.009 . . . . 25.0 114.291 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -178.44 31.43 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 N-CA-C 108.999 -1.64 . . . . 25.0 108.999 178.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -98.48 139.72 33.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.405 -0.898 . . . . 25.0 111.303 -176.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 45.1 mt -135.45 145.21 46.97 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 106.602 -1.629 . . . . 25.0 106.602 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -93.99 111.14 22.81 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 107.83 -1.174 . . . . 25.0 107.83 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -82.96 -32.35 27.12 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 115.919 -0.582 . . . . 25.0 110.367 -176.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 1.9 mtt -65.78 -31.24 72.1 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 107.834 -1.173 . . . . 25.0 107.834 -178.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.0 t -87.42 -16.56 34.52 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 114.126 1.158 . . . . 25.0 114.126 -178.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -53.53 -43.38 68.32 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.592 0.96 . . . . 25.0 113.592 -174.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 75.2 m -67.01 -17.53 64.96 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.655 0.983 . . . . 25.0 113.655 -178.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 43.5 p -91.63 -27.82 17.89 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.716 -0.393 . . . . 25.0 111.45 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -156.64 118.85 3.94 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.853 1.057 . . . . 25.0 113.853 -178.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 N-CA-C 107.634 -1.247 . . . . 25.0 107.634 173.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 C--O 1.217 -0.629 0 CA-C-O 120.448 0.166 . . . . 25.0 111.289 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 747' ' ' GLN . . . . . 0.416 HE21 ' HA ' ' A' ' 747' ' ' GLN . 0.3 OUTLIER -75.05 -56.07 5.11 Favored 'General case' 0 CA--C 1.502 -0.891 0 N-CA-C 109.242 -0.651 . . . . 25.0 109.242 -178.597 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 25.4 ptp -56.99 -27.0 61.1 Favored 'General case' 0 C--O 1.22 -0.491 0 C-N-CA 119.73 -0.788 . . . . 25.0 110.66 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -61.95 -53.44 55.66 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.152 -0.476 . . . . 25.0 109.806 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -74.54 -33.78 62.81 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 109.088 -0.708 . . . . 25.0 109.088 -175.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -59.0 -47.05 86.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.388 0.613 . . . . 25.0 109.981 176.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -69.78 -39.75 76.45 Favored 'General case' 0 C--O 1.213 -0.833 0 O-C-N 121.702 -0.624 . . . . 25.0 110.047 -178.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -66.78 -38.99 87.63 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-O 118.753 -0.642 . . . . 25.0 112.695 -178.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 69.4 m -71.16 -41.19 70.7 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 118.495 0.589 . . . . 25.0 110.648 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -43.63 85.8 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.776 -1.194 . . . . 25.0 107.776 176.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.31 -33.35 69.6 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 113.111 0.782 . . . . 25.0 113.111 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -64.65 -38.21 90.23 Favored 'General case' 0 CA--C 1.509 -0.622 0 O-C-N 121.618 -0.676 . . . . 25.0 109.557 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -84.31 -39.0 19.7 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 115.747 -0.661 . . . . 25.0 109.478 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -89.13 70.8 8.39 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 123.991 1.853 . . . . 25.0 109.959 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 45.2 mtm180 -74.93 -8.46 56.54 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 113.187 -1.824 . . . . 25.0 111.036 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -92.56 2.3 56.77 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 124.177 0.923 . . . . 25.0 108.719 179.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 21.7 p80 39.01 41.17 0.53 Allowed 'General case' 0 C--O 1.241 0.637 0 N-CA-C 114.766 1.395 . . . . 25.0 114.766 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 58.0 m -76.33 -24.33 54.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 122.258 1.028 . . . . 25.0 110.484 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 94.31 0.62 65.17 Favored Glycine 0 C--O 1.246 0.855 0 N-CA-C 109.881 -1.288 . . . . 25.0 109.881 -177.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -148.0 154.08 39.82 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 123.609 0.764 . . . . 25.0 109.951 -175.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 766' ' ' LEU . . . . . 0.432 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 13.6 mt -138.27 171.62 14.12 Favored 'General case' 0 CA--C 1.507 -0.68 0 N-CA-C 109.207 -0.664 . . . . 25.0 109.207 178.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -78.77 171.04 55.05 Favored Glycine 0 C--O 1.244 0.752 0 N-CA-C 110.835 -0.906 . . . . 25.0 110.835 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -66.7 -31.64 39.61 Favored 'Trans proline' 0 C--O 1.213 -0.735 0 C-N-CA 120.766 0.977 . . . . 25.0 112.351 -176.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -80.9 -37.95 28.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.28 0.562 . . . . 25.0 110.471 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -60.63 -53.53 56.39 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 116.225 -0.443 . . . . 25.0 110.532 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 771' ' ' PHE . . . . . 0.432 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -63.22 -28.43 70.03 Favored 'General case' 0 C--O 1.213 -0.868 0 N-CA-C 113.47 0.915 . . . . 25.0 113.47 174.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -67.46 -44.26 79.06 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 119.295 0.952 . . . . 25.0 110.93 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.44 -25.88 62.5 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.733 0.777 . . . . 25.0 109.893 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 51.5 t -61.75 -34.78 76.44 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 177.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 10.8 mt -66.65 -32.08 73.16 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-O 120.903 0.383 . . . . 25.0 110.834 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 57.9 mt -59.16 -33.71 51.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 N-CA-C 109.523 -0.547 . . . . 25.0 109.523 -176.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 76.5 p -62.97 -19.95 64.8 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 122.088 -0.383 . . . . 25.0 111.862 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 12.9 mt -93.81 -15.18 25.36 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.388 0.675 . . . . 25.0 111.054 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 117.5 24.7 3.37 Favored Glycine 0 C--O 1.218 -0.868 0 N-CA-C 115.624 1.01 . . . . 25.0 115.624 177.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -93.66 140.31 29.79 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.794 -0.817 . . . . 25.0 108.794 -178.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -94.11 42.45 1.1 Allowed 'General case' 0 N--CA 1.476 0.852 0 CA-C-O 122.585 1.183 . . . . 25.0 110.808 178.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 58.5 mt . . . . . 0 CA--C 1.539 0.542 0 N-CA-C 107.951 -1.129 . . . . 25.0 107.951 -178.261 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.208 -1.5 0 N-CA-C 109.31 -1.516 . . . . 25.0 109.31 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.38 -35.49 79.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.652 -0.91 . . . . 25.0 111.156 177.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -65.42 -32.01 73.41 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.68 0.622 . . . . 25.0 112.68 -178.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -93.36 -21.15 19.72 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 121.76 0.791 . . . . 25.0 110.566 177.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -73.82 -34.63 64.65 Favored 'General case' 0 C--N 1.313 -0.982 0 O-C-N 121.069 -1.019 . . . . 25.0 108.854 176.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -58.63 -32.73 69.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.612 0.72 . . . . 25.0 111.357 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -85.22 -28.17 25.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.475 -0.766 . . . . 25.0 109.992 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 35.5 mt -67.43 -47.29 81.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 O-C-N 123.235 0.334 . . . . 25.0 110.343 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 24.0 ptm -61.03 -26.46 67.63 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.986 -0.446 . . . . 25.0 111.728 -178.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 59.4 m -74.21 -17.74 60.85 Favored 'General case' 0 C--O 1.214 -0.806 0 N-CA-C 111.707 0.262 . . . . 25.0 111.707 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 83.3 mt -94.99 -44.99 13.39 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.532 0 CA-C-O 122.576 1.179 . . . . 25.0 110.573 -177.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.442 ' HB ' HG13 ' A' ' 807' ' ' VAL . 26.2 m -77.42 -16.28 14.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 114.73 -1.123 . . . . 25.0 112.082 -177.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -152.84 64.83 5.49 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.029 0.831 . . . . 25.0 112.465 -175.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -71.45 -12.85 29.98 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 118.33 -0.647 . . . . 25.0 112.563 178.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.77 -12.94 58.35 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 122.997 0.519 . . . . 25.0 109.827 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 61.0 45.85 8.94 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 121.732 0.777 . . . . 25.0 110.775 179.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 85.7 mt -70.53 -23.68 62.68 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 113.978 -1.464 . . . . 25.0 109.291 176.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 86.03 16.46 63.02 Favored Glycine 0 CA--C 1.508 -0.38 0 CA-C-N 114.681 -1.145 . . . . 25.0 111.526 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 9.5 m -145.75 154.84 13.12 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 N-CA-C 109.978 -0.379 . . . . 25.0 109.978 -176.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 807' ' ' VAL . . . . . 0.442 HG13 ' HB ' ' A' ' 799' ' ' VAL . 16.6 t -127.62 132.94 68.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.057 -0.72 . . . . 25.0 109.057 -179.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.16 161.85 14.1 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.976 -0.379 . . . . 25.0 109.976 178.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -52.78 -43.25 65.73 Favored 'General case' 0 C--O 1.204 -1.332 0 CA-C-O 121.496 0.665 . . . . 25.0 109.925 178.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -20.24 59.87 Favored 'General case' 0 C--N 1.314 -0.946 0 O-C-N 121.662 -0.649 . . . . 25.0 110.281 -172.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -76.4 -42.59 43.79 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 119.945 -0.702 . . . . 25.0 110.994 -177.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.435 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.1 p90 -67.49 -29.53 68.98 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 119.005 -1.078 . . . . 25.0 110.051 178.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 19.9 mm -65.04 -25.56 37.93 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.618 0 O-C-N 121.516 -0.74 . . . . 25.0 110.705 176.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.01 -40.3 96.05 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.101 -0.999 . . . . 25.0 109.867 -178.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 815' ' ' PHE . . . . . 0.435 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 4.7 p90 . . . . . 0 CA--C 1.5 -0.977 0 C-N-CA 119.411 -0.916 . . . . 25.0 112.442 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 10.1 ttm . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.75 0.31 . . . . 25.0 110.319 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.1 -36.92 75.98 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.658 -0.867 . . . . 25.0 108.658 178.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 23.9 m -65.54 -45.29 84.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.491 0.662 . . . . 25.0 111.503 -178.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -63.71 -42.14 98.0 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.834 -0.541 . . . . 25.0 109.985 177.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -58.25 -27.49 64.03 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 113.962 1.097 . . . . 25.0 113.962 -176.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 42.3 mt -74.56 -42.23 48.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.532 -0.914 . . . . 25.0 108.532 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.54 -28.07 22.21 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 114.49 1.292 . . . . 25.0 114.49 -174.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -69.53 -44.09 71.7 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 107.809 -1.182 . . . . 25.0 107.809 -177.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 25.39 -83.7 0.0 OUTLIER Glycine 0 N--CA 1.443 -0.882 0 N-CA-C 118.586 2.194 . . . . 25.0 118.586 -175.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.11 -8.85 57.64 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 113.928 1.085 . . . . 25.0 113.928 -175.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -110.5 139.75 45.43 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 106.853 -1.536 . . . . 25.0 106.853 176.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -80.97 10.41 5.16 Favored 'General case' 0 C--N 1.319 -0.761 0 O-C-N 121.902 -0.499 . . . . 25.0 111.514 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . 0.41 ' HB3' ' CE1' ' A' ' 867' ' ' TYR . 9.1 p90 -150.07 174.13 13.09 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 109.329 -0.619 . . . . 25.0 109.329 -176.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 1.4 tp -128.74 152.46 36.93 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 N-CA-C 107.724 -1.214 . . . . 25.0 107.724 -175.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 66.9 p -106.81 158.76 16.75 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 120.46 -1.4 . . . . 25.0 107.691 174.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 76.2 mtm -57.47 -37.87 73.58 Favored 'General case' 0 C--O 1.21 -0.996 0 N-CA-C 109.707 -0.479 . . . . 25.0 109.707 176.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -62.58 -46.24 89.21 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.621 0.724 . . . . 25.0 112.577 -178.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.75 -47.71 65.59 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.057 -0.974 . . . . 25.0 111.012 -177.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.8 pp -66.67 -22.71 66.09 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 119.458 -0.897 . . . . 25.0 110.759 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -72.24 -12.73 61.29 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 113.193 0.812 . . . . 25.0 113.193 177.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -77.71 -25.15 49.15 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 121.503 0.668 . . . . 25.0 109.466 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -86.01 -40.46 15.78 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.198 -0.91 . . . . 25.0 109.793 -176.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.47 79.25 74.24 Favored Pre-proline 0 N--CA 1.45 -0.436 0 CA-C-N 116.569 -0.287 . . . . 25.0 110.55 -178.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.73 -31.07 69.9 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 N-CA-C 118.649 2.519 . . . . 25.0 118.649 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -76.42 -170.26 0.85 Allowed 'Trans proline' 0 C--N 1.363 1.32 0 C-N-CA 113.83 -3.647 . . . . 25.0 112.345 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -51.19 -16.0 0.44 Allowed 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.623 1.342 . . . . 25.0 114.623 -179.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -50.46 -40.31 50.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 118.972 0.806 . . . . 25.0 110.729 173.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -67.84 -39.52 83.84 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-O 120.732 0.301 . . . . 25.0 110.701 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -64.56 -42.05 95.92 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.624 -0.51 . . . . 25.0 109.624 -179.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -66.99 -31.63 72.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.083 -0.508 . . . . 25.0 109.669 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 35.8 m -67.84 -47.67 68.33 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 108.112 -1.07 . . . . 25.0 108.112 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 24.9 mt -61.6 -38.38 80.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-O 121.232 0.539 . . . . 25.0 110.345 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -67.83 -7.99 32.47 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.002 1.112 . . . . 25.0 114.002 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -117.74 -27.81 6.15 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.521 -0.737 . . . . 25.0 112.194 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . 0.469 ' HG3' ' HB2' ' A' ' 882' ' ' PHE . 16.1 ttm -66.42 142.65 57.52 Favored 'General case' 0 C--O 1.205 -1.27 0 N-CA-C 113.721 1.008 . . . . 25.0 113.721 -173.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -70.77 141.41 87.27 Favored Pre-proline 0 C--N 1.314 -0.953 0 CA-C-N 116.232 -0.44 . . . . 25.0 109.956 -177.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -74.4 148.21 37.87 Favored 'Trans proline' 0 C--O 1.223 -0.245 0 CA-C-O 121.618 0.591 . . . . 25.0 113.276 177.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . 0.41 ' CE1' ' HB3' ' A' ' 842' ' ' TYR . 78.2 t80 -110.49 126.95 54.9 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 -177.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 77.3 p -128.11 46.17 2.62 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 120.918 0.39 . . . . 25.0 110.493 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -93.01 -168.3 39.19 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 121.146 -0.55 . . . . 25.0 113.622 -175.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -70.02 -26.32 26.47 Favored 'Trans proline' 0 C--O 1.214 -0.695 0 C-N-CA 121.559 1.506 . . . . 25.0 115.613 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -107.4 33.79 3.84 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 107.317 -1.364 . . . . 25.0 107.317 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 25.7 p -78.17 146.96 34.73 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 122.132 0.968 . . . . 25.0 112.634 -175.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 18.0 m -131.42 164.09 44.95 Favored Pre-proline 0 C--N 1.318 -0.762 0 N-CA-C 105.711 -1.959 . . . . 25.0 105.711 178.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -57.82 -18.09 32.79 Favored 'Trans proline' 0 CA--C 1.536 0.583 0 N-CA-C 115.622 1.355 . . . . 25.0 115.622 -176.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -117.27 35.96 3.91 Favored Glycine 0 C--O 1.223 -0.593 0 CA-C-O 121.191 0.328 . . . . 25.0 112.973 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -90.84 137.55 32.27 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 112.953 0.723 . . . . 25.0 112.953 -178.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 44.1 mt -136.69 140.03 42.39 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.3 -1.0 . . . . 25.0 108.3 -177.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -90.32 103.14 15.85 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 122.613 1.197 . . . . 25.0 108.639 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -75.69 -30.72 59.43 Favored 'General case' 0 C--O 1.198 -1.633 0 CA-C-N 114.931 -1.031 . . . . 25.0 109.857 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 2.9 mmm -67.8 -30.46 69.89 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 108.317 -0.994 . . . . 25.0 108.317 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 2.5 t -90.29 -12.25 38.4 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.312 1.054 . . . . 25.0 113.818 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . 0.469 ' HB2' ' HG3' ' A' ' 864' ' ' MET . 1.9 t80 -60.52 -50.6 72.92 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 114.311 1.226 . . . . 25.0 114.311 -173.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 28.5 m -66.95 -16.73 64.53 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.254 0.835 . . . . 25.0 113.254 -178.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 68.8 p -99.35 -10.68 21.99 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.884 0.698 . . . . 25.0 112.884 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -152.29 79.53 1.24 Allowed 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.313 0.578 . . . . 25.0 110.93 -177.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 5.3 mp . . . . . 0 C--N 1.324 -0.513 0 N-CA-C 107.264 -1.384 . . . . 25.0 107.264 176.81 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 119.869 -0.11 . . . . 25.0 110.961 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.59 -57.34 4.21 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 121.239 0.543 . . . . 25.0 109.56 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 24.2 ptp -57.11 -25.97 59.69 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 120.15 -0.62 . . . . 25.0 110.925 178.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -56.22 20.92 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.203 -0.453 . . . . 25.0 109.982 179.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -71.67 -32.36 67.79 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 110.025 -0.361 . . . . 25.0 110.025 -177.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -58.63 -48.47 80.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.37 0.605 . . . . 25.0 109.765 175.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -66.67 -42.86 85.92 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 116.122 -0.49 . . . . 25.0 110.336 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.37 -40.02 93.0 Favored 'General case' 0 C--O 1.212 -0.889 0 C-N-CA 120.994 -0.282 . . . . 25.0 111.25 -177.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 47.5 m -66.22 -44.23 84.42 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 117.904 0.32 . . . . 25.0 110.801 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -40.68 96.47 Favored 'General case' 0 C--O 1.208 -1.107 0 N-CA-C 108.906 -0.775 . . . . 25.0 108.906 177.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.69 -34.74 76.17 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 112.642 0.608 . . . . 25.0 112.642 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -67.11 -36.76 82.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.841 0.829 . . . . 25.0 110.126 -178.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -84.58 -35.12 22.98 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 115.776 -0.647 . . . . 25.0 110.07 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -91.48 71.05 5.97 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 122.958 1.361 . . . . 25.0 109.148 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 46.4 mtm-85 -69.85 -9.58 55.34 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 113.481 -1.691 . . . . 25.0 110.51 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -92.95 -4.66 52.33 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.4 0.619 . . . . 25.0 109.628 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 20.4 p80 42.41 38.43 1.21 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.029 1.332 . . . . 25.0 113.566 -175.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 42.1 t -70.08 -25.25 63.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.982 0.896 . . . . 25.0 109.922 178.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 94.2 1.18 64.97 Favored Glycine 0 N--CA 1.451 -0.3 0 N-CA-C 109.015 -1.634 . . . . 25.0 109.015 -178.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 2.1 p -145.11 155.26 43.21 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 123.464 0.705 . . . . 25.0 110.096 -176.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 766' ' ' LEU . . . . . 0.503 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 14.5 mt -140.02 169.5 17.59 Favored 'General case' 0 CA--C 1.503 -0.857 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 176.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -75.5 171.14 54.34 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.018 -0.833 . . . . 25.0 111.018 -178.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -64.63 -36.73 40.62 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 CA-C-N 118.398 1.099 . . . . 25.0 112.852 -177.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -78.7 -34.4 46.1 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.003 0.43 . . . . 25.0 111.257 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -62.65 -56.24 19.56 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.531 -0.544 . . . . 25.0 109.531 178.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 771' ' ' PHE . . . . . 0.503 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -59.51 -32.84 70.66 Favored 'General case' 0 C--O 1.217 -0.639 0 N-CA-C 112.984 0.735 . . . . 25.0 112.984 174.724 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -60.76 -47.85 84.43 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 119.137 0.88 . . . . 25.0 109.765 176.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.04 -24.58 62.37 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.67 0.748 . . . . 25.0 111.431 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 50.7 t -64.23 -34.62 78.51 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.736 -0.838 . . . . 25.0 108.736 176.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 9.4 mt -67.95 -34.26 76.23 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 121.822 -0.549 . . . . 25.0 109.728 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 57.3 mt -60.23 -31.49 48.37 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 CA-C-O 121.336 0.589 . . . . 25.0 110.085 -177.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 15.7 m -62.65 -21.13 65.47 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.435 0.531 . . . . 25.0 112.435 178.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 16.0 mt -94.6 -17.11 22.64 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 115.611 -0.722 . . . . 25.0 110.775 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 116.64 29.55 2.23 Favored Glycine 0 C--O 1.225 -0.424 0 CA-C-N 115.226 -0.897 . . . . 25.0 114.955 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -95.29 141.57 28.71 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.133 -1.432 . . . . 25.0 107.133 -178.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -96.59 39.63 1.16 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.15 0.976 . . . . 25.0 108.793 177.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 58.9 mt . . . . . 0 CA--C 1.51 -0.564 0 N-CA-C 106.913 -1.514 . . . . 25.0 106.913 -177.268 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.203 -1.791 0 N-CA-C 108.737 -1.745 . . . . 25.0 108.737 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.21 -37.4 74.75 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 117.148 0.474 . . . . 25.0 111.155 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -61.78 -37.37 84.07 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.098 0.407 . . . . 25.0 112.098 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -91.3 -25.24 19.54 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.344 0.592 . . . . 25.0 110.51 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.5 -34.17 77.32 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.881 -1.155 . . . . 25.0 107.881 177.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -60.4 -27.05 67.14 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 121.516 0.674 . . . . 25.0 110.79 177.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -80.34 -43.58 20.93 Favored 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 108.389 -0.967 . . . . 25.0 108.389 178.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 65.2 mt -59.43 -49.59 83.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 113.956 -1.474 . . . . 25.0 110.376 -176.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 23.4 ptm -59.95 -29.21 68.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.845 0.355 . . . . 25.0 111.363 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 42.6 m -76.44 -16.84 59.59 Favored 'General case' 0 C--N 1.32 -0.699 0 O-C-N 122.203 -0.311 . . . . 25.0 111.788 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 68.4 mt -98.01 -47.73 12.37 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.699 0 CA-C-O 120.994 0.426 . . . . 25.0 110.048 -177.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.409 ' HB ' HG13 ' A' ' 807' ' ' VAL . 29.2 m -74.56 -16.04 16.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.271 -0.422 . . . . 25.0 111.82 -178.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -147.36 64.67 8.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 114.525 1.306 . . . . 25.0 114.525 -176.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -75.74 -4.63 15.48 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 117.342 -1.305 . . . . 25.0 111.078 175.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.39 -14.32 38.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.754 -0.657 . . . . 25.0 111.545 -177.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 61.01 49.79 5.5 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 122.082 0.944 . . . . 25.0 110.91 -176.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 67.6 mt -70.53 -26.89 63.78 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 105.883 -1.895 . . . . 25.0 105.883 173.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 83.55 15.71 70.39 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 109.26 -1.536 . . . . 25.0 109.26 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 11.4 m -155.34 163.8 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.609 0 N-CA-C 108.455 -0.943 . . . . 25.0 108.455 -172.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 807' ' ' VAL . . . . . 0.409 HG13 ' HB ' ' A' ' 799' ' ' VAL . 13.4 t -126.97 131.78 70.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.511 -0.768 . . . . 25.0 109.631 -178.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.31 159.09 15.17 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 108.541 -0.911 . . . . 25.0 108.541 178.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -51.86 -43.13 63.12 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.649 -0.705 . . . . 25.0 110.431 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -22.03 60.8 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 121.52 -0.737 . . . . 25.0 110.499 -175.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -77.13 -40.9 43.97 Favored 'General case' 0 C--O 1.216 -0.707 0 C-N-CA 119.885 -0.726 . . . . 25.0 111.618 -176.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.412 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.0 OUTLIER -68.29 -31.38 70.79 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.122 -0.986 . . . . 25.0 109.529 177.088 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 13.7 mm -63.95 -29.12 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 109.258 -0.645 . . . . 25.0 109.258 177.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -60.69 -46.09 91.69 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 109.838 -0.43 . . . . 25.0 109.838 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 815' ' ' PHE . . . . . 0.412 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 4.3 p90 . . . . . 0 CA--C 1.512 -0.497 0 C-N-CA 119.251 -0.98 . . . . 25.0 111.068 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 C--O 1.241 0.629 0 N-CA-C 109.255 -0.646 . . . . 25.0 109.255 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.45 93.61 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.894 -0.594 . . . . 25.0 110.349 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 47.6 m -64.32 -39.36 93.75 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.494 0.553 . . . . 25.0 112.494 -178.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -64.32 -35.41 80.78 Favored 'General case' 0 C--O 1.214 -0.79 0 O-C-N 121.332 -0.855 . . . . 25.0 110.231 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -64.64 -25.04 67.78 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.362 -0.535 . . . . 25.0 111.772 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 66.5 mt -79.87 -45.18 23.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 108.606 -0.887 . . . . 25.0 108.606 -178.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.49 -23.11 32.32 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 119.676 -0.81 . . . . 25.0 111.985 -173.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.746 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -107.8 17.56 22.38 Favored 'General case' 0 C--O 1.209 -1.064 0 O-C-N 122.258 -0.276 . . . . 25.0 111.669 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -65.74 -24.46 71.3 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 107.845 -2.102 . . . . 25.0 107.845 171.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -69.96 -19.55 63.35 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.43 0.529 . . . . 25.0 112.43 176.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -131.28 -166.03 1.65 Allowed 'General case' 0 C--O 1.214 -0.796 0 O-C-N 121.692 -0.63 . . . . 25.0 109.693 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -117.17 13.08 14.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.558 -0.714 . . . . 25.0 109.846 174.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . 0.408 ' HB3' ' CE2' ' A' ' 867' ' ' TYR . 6.4 p90 -160.95 178.73 9.1 Favored 'General case' 0 CA--C 1.511 -0.551 0 N-CA-C 108.744 -0.836 . . . . 25.0 108.744 -177.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . 0.746 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.3 OUTLIER -134.97 152.96 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 N-CA-C 109.001 -0.74 . . . . 25.0 109.001 -179.431 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 41.8 p -105.03 159.06 16.12 Favored 'General case' 0 CA--C 1.495 -1.135 0 N-CA-C 107.815 -1.18 . . . . 25.0 107.815 174.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 72.7 mtm -58.34 -33.4 69.49 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.31 -0.859 . . . . 25.0 110.351 175.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -71.87 -32.49 67.52 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.481 -0.781 . . . . 25.0 111.084 -178.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -76.49 -49.73 15.79 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 120.694 0.283 . . . . 25.0 110.582 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.0 pp -65.77 -26.93 67.94 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.498 -0.881 . . . . 25.0 112.177 -176.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 24.2 ptt85 -71.53 -11.59 60.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.573 -0.704 . . . . 25.0 112.014 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -73.14 -27.12 61.49 Favored 'General case' 0 CA--C 1.513 -0.45 0 O-C-N 121.633 -0.667 . . . . 25.0 109.218 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -83.37 -43.05 16.34 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 114.77 -1.104 . . . . 25.0 110.135 -177.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.8 80.73 71.56 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.347 -0.842 . . . . 25.0 109.191 -178.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -63.63 -23.71 69.94 Favored 'Trans proline' 0 CA--C 1.556 1.583 0 N-CA-C 119.583 2.878 . . . . 25.0 119.583 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -79.38 -165.42 0.34 Allowed 'Trans proline' 0 C--N 1.365 1.413 0 C-N-CA 113.738 -3.708 . . . . 25.0 111.731 176.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -49.67 -17.54 0.34 Allowed 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 114.598 1.333 . . . . 25.0 114.598 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -53.05 -39.06 62.97 Favored 'General case' 0 C--O 1.219 -0.51 0 O-C-N 121.853 -0.529 . . . . 25.0 110.833 176.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -61.32 -42.74 99.17 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 122.348 -0.22 . . . . 25.0 111.195 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -67.17 -39.97 86.52 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.246 0.546 . . . . 25.0 110.089 -177.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -65.15 -30.95 71.91 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.005 -0.739 . . . . 25.0 109.005 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 57.2 m -73.96 -42.5 60.42 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 116.366 -0.379 . . . . 25.0 110.343 178.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 22.7 mt -62.84 -40.27 88.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.303 -0.629 . . . . 25.0 109.303 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -62.49 -28.17 69.65 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 121.041 0.448 . . . . 25.0 111.389 178.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . 0.411 ' HB3' ' CE1' ' A' ' 882' ' ' PHE . 4.3 mpt_? -93.05 -20.91 20.08 Favored 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 112.365 0.506 . . . . 25.0 112.365 -178.474 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 3.5 ttm -74.2 167.3 21.87 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 113.708 1.003 . . . . 25.0 113.708 -175.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -99.94 143.57 26.73 Favored Pre-proline 0 C--O 1.217 -0.639 0 N-CA-C 107.828 -1.175 . . . . 25.0 107.828 -178.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -75.21 152.38 39.72 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 CA-C-N 118.686 0.566 . . . . 25.0 113.352 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . 0.408 ' CE2' ' HB3' ' A' ' 842' ' ' TYR . 47.9 t80 -119.35 125.37 48.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.769 -0.65 . . . . 25.0 112.394 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 72.8 p -128.23 42.21 3.36 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 109.555 -0.535 . . . . 25.0 109.555 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -85.16 -166.55 41.98 Favored Glycine 0 CA--C 1.524 0.636 0 CA-C-O 119.609 -0.55 . . . . 25.0 113.891 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -69.95 -30.61 21.12 Favored 'Trans proline' 0 N--CA 1.475 0.441 0 CA-C-N 118.971 1.386 . . . . 25.0 114.641 -177.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -97.29 23.46 7.47 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 108.889 -0.782 . . . . 25.0 108.889 -177.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 87.7 p -75.0 151.56 38.77 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 122.758 1.266 . . . . 25.0 113.59 -172.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 12.1 m -137.38 162.47 54.92 Favored Pre-proline 0 C--N 1.319 -0.745 0 N-CA-C 103.054 -2.943 . . . . 25.0 103.054 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.07 -23.98 63.63 Favored 'Trans proline' 0 C--N 1.349 0.588 0 N-CA-C 114.994 1.113 . . . . 25.0 114.994 -178.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -106.6 34.19 5.91 Favored Glycine 0 CA--C 1.51 -0.251 0 C-N-CA 121.748 -0.263 . . . . 25.0 113.475 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -92.5 137.49 32.32 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.423 0.63 . . . . 25.0 111.15 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 49.8 mt -135.56 138.36 42.93 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.895 -1.15 . . . . 25.0 107.895 -179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -87.24 102.09 14.15 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 106.91 -1.515 . . . . 25.0 106.91 178.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -73.23 -33.58 65.41 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.255 -0.884 . . . . 25.0 109.439 -178.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 14.1 ttp -67.99 -22.93 64.98 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.624 -0.716 . . . . 25.0 109.321 -176.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 4.3 t -86.18 -24.17 26.24 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.357 -0.838 . . . . 25.0 112.771 177.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . 0.411 ' CE1' ' HB3' ' A' ' 863' ' ' ARG . 7.2 t80 -56.04 -43.41 77.81 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.315 0.578 . . . . 25.0 111.679 -179.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.09 -23.19 4.96 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 114.945 1.461 . . . . 25.0 114.945 176.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 15.3 t -117.06 -3.43 11.56 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.721 1.008 . . . . 25.0 113.721 178.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -154.2 127.61 8.55 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 122.022 -0.424 . . . . 25.0 111.88 -177.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.6 pt? . . . . . 0 C--N 1.324 -0.539 0 N-CA-C 108.041 -1.096 . . . . 25.0 108.041 179.361 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 15.9 pm0 . . . . . 0 N--CA 1.448 -0.542 0 N-CA-C 111.349 0.129 . . . . 25.0 111.349 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.69 -57.65 3.75 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-O 121.296 0.57 . . . . 25.0 110.676 178.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 23.8 ptp -55.03 -27.15 42.3 Favored 'General case' 0 C--O 1.212 -0.89 0 C-N-CA 120.675 -0.41 . . . . 25.0 110.611 177.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.49 -56.35 22.48 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.186 -0.461 . . . . 25.0 111.098 179.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . 0.422 ' H ' ' HG2' ' A' ' 750' ' ' GLU . 13.9 pt-20 -69.35 -30.53 68.57 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.84 -0.43 . . . . 25.0 109.84 -177.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -63.93 -48.75 75.33 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.319 0.581 . . . . 25.0 111.683 174.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -66.52 -39.24 88.52 Favored 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 121.817 -0.552 . . . . 25.0 109.727 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.18 -39.12 78.9 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.62 0.6 . . . . 25.0 112.62 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 12.1 p -67.02 -43.35 83.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 118.51 0.596 . . . . 25.0 110.825 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -40.98 92.65 Favored 'General case' 0 C--O 1.211 -0.949 0 N-CA-C 108.673 -0.862 . . . . 25.0 108.673 177.073 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.48 -30.83 67.74 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.65 0.611 . . . . 25.0 112.65 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -69.44 -34.6 74.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.01 0.434 . . . . 25.0 109.867 -178.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -88.25 -36.87 16.48 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.939 -0.573 . . . . 25.0 110.049 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 759' ' ' ASP . . . . . 0.439 ' HA ' HD21 ' A' ' 766' ' ' LEU . 55.2 t0 -91.3 70.64 6.11 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 122.568 1.175 . . . . 25.0 108.756 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -79.89 -0.35 34.54 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.074 -1.421 . . . . 25.0 110.704 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -92.74 -11.46 33.83 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.262 -1.385 . . . . 25.0 107.262 176.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 53.83 37.74 27.09 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 114.333 -1.303 . . . . 25.0 112.484 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 43.3 t -70.18 -28.16 65.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.933 -1.031 . . . . 25.0 110.349 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 94.21 1.85 64.49 Favored Glycine 0 C--O 1.24 0.486 0 N-CA-C 109.456 -1.457 . . . . 25.0 109.456 -178.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -150.27 151.63 33.27 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 108.895 -0.78 . . . . 25.0 108.895 -175.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 766' ' ' LEU . . . . . 0.467 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 20.6 mt -134.9 174.34 10.71 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 107.105 -1.442 . . . . 25.0 107.105 176.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -85.46 179.4 50.49 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.141 -1.184 . . . . 25.0 110.141 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.29 -29.7 20.93 Favored 'Trans proline' 0 C--O 1.222 -0.28 0 C-N-CA 121.095 1.197 . . . . 25.0 113.593 -175.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.05 -40.32 31.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.787 0.803 . . . . 25.0 109.414 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -66.41 -53.76 32.05 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.455 -0.793 . . . . 25.0 110.914 -177.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 771' ' ' PHE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.4 OUTLIER -59.09 -31.69 69.13 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 112.636 0.606 . . . . 25.0 112.636 174.188 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -63.76 -46.4 85.46 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.864 0.756 . . . . 25.0 109.967 177.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -72.19 -24.52 61.43 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.408 0.623 . . . . 25.0 111.235 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 46.9 t -64.0 -34.34 77.78 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.972 -0.751 . . . . 25.0 108.972 176.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.52 -33.79 75.78 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-O 121.23 0.538 . . . . 25.0 109.645 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 60.8 mt -59.5 -32.66 49.39 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 O-C-N 121.933 -0.479 . . . . 25.0 110.048 -178.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.84 -16.72 59.66 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.594 0.59 . . . . 25.0 112.594 177.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 16.9 mt -97.46 -20.76 17.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.339 -0.391 . . . . 25.0 110.744 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 121.02 32.21 1.1 Allowed Glycine 0 C--O 1.221 -0.672 0 CA-C-N 115.874 -0.603 . . . . 25.0 114.503 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -98.45 143.84 28.45 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 106.261 -1.755 . . . . 25.0 106.261 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -99.5 33.63 2.43 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 122.226 1.012 . . . . 25.0 110.634 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 72.5 mt . . . . . 0 C--N 1.324 -0.524 0 N-CA-C 105.589 -2.004 . . . . 25.0 105.589 -178.426 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -1.339 0 N-CA-C 109.124 -1.591 . . . . 25.0 109.124 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.9 -33.79 69.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 118.064 0.932 . . . . 25.0 112.129 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -64.68 -35.16 80.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.475 -0.33 . . . . 25.0 111.295 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 791' ' ' GLU . . . . . 0.466 ' HB2' ' HE ' ' A' ' 794' ' ' ARG . 14.7 pt-20 -95.63 -17.64 21.18 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 121.889 0.852 . . . . 25.0 111.527 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.7 -32.74 68.13 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 106.733 -1.58 . . . . 25.0 106.733 174.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.52 -33.74 71.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.987 -0.551 . . . . 25.0 111.889 178.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 794' ' ' ARG . . . . . 0.466 ' HE ' ' HB2' ' A' ' 791' ' ' GLU . 23.1 ptt85 -82.7 -28.97 30.2 Favored 'General case' 0 C--O 1.215 -0.724 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.437 HG23 ' CE2' ' A' ' 815' ' ' PHE . 42.3 mt -68.26 -51.48 47.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.852 -0.425 . . . . 25.0 109.852 -178.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 18.6 ptt? -59.68 -29.41 68.06 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-O 120.853 0.359 . . . . 25.0 111.287 -178.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 50.7 m -72.08 -20.25 61.68 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.175 0.435 . . . . 25.0 112.175 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 66.4 mt -95.43 -47.14 13.18 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.62 0 CA-C-O 121.221 0.534 . . . . 25.0 110.813 -176.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 31.7 m -76.33 -14.04 14.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.929 -0.578 . . . . 25.0 111.735 -176.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -153.8 68.74 6.28 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-O 121.75 0.786 . . . . 25.0 111.033 -176.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -72.05 -7.67 21.47 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 118.157 -0.762 . . . . 25.0 112.621 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -91.48 -10.16 41.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.366 -0.379 . . . . 25.0 110.874 -178.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 58.57 49.02 11.05 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.796 0.808 . . . . 25.0 110.585 -177.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 85.4 mt -71.76 -26.19 62.35 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.573 -1.194 . . . . 25.0 107.938 175.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 89.51 19.42 48.99 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.225 -0.898 . . . . 25.0 111.801 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 14.8 m -144.64 153.45 14.81 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 CA-C-O 121.198 0.523 . . . . 25.0 110.62 -176.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 12.5 t -131.41 131.48 63.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.486 -0.779 . . . . 25.0 109.703 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -96.95 160.74 14.18 Favored 'General case' 0 CA--C 1.503 -0.85 0 N-CA-C 109.22 -0.659 . . . . 25.0 109.22 178.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -53.84 -42.06 68.07 Favored 'General case' 0 C--O 1.213 -0.822 0 CA-C-N 115.309 -0.86 . . . . 25.0 110.005 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -22.3 59.32 Favored 'General case' 0 C--N 1.318 -0.791 0 O-C-N 121.602 -0.686 . . . . 25.0 109.646 -174.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -75.47 -42.89 52.0 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 119.968 -0.693 . . . . 25.0 111.027 -177.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.451 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.0 OUTLIER -66.26 -30.59 71.05 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 119.272 -0.971 . . . . 25.0 110.288 178.214 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 18.8 mm -63.82 -26.97 41.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.336 0.588 . . . . 25.0 110.548 177.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.06 -43.74 94.56 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 119.446 -0.902 . . . . 25.0 110.627 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 815' ' ' PHE . . . . . 0.451 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.2 p90 . . . . . 0 CA--C 1.505 -0.777 0 C-N-CA 119.256 -0.978 . . . . 25.0 111.38 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.377 0 N-CA-C 109.892 -0.41 . . . . 25.0 109.892 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.96 83.95 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.603 -0.518 . . . . 25.0 109.603 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 9.6 m -62.86 -41.14 99.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.061 0.458 . . . . 25.0 111.351 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -69.14 -33.97 74.27 Favored 'General case' 0 C--O 1.22 -0.454 0 O-C-N 121.719 -0.613 . . . . 25.0 110.014 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -63.04 -21.59 66.27 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-O 120.852 0.358 . . . . 25.0 111.054 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 83.2 mt -72.81 -46.03 54.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.13 -1.063 . . . . 25.0 108.13 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.74 -29.43 25.52 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.522 0.677 . . . . 25.0 111.624 -173.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.664 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -108.66 17.46 21.92 Favored 'General case' 0 C--O 1.206 -1.213 0 CA-C-N 115.359 -0.837 . . . . 25.0 112.893 -177.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -62.47 -25.18 66.69 Favored Glycine 0 C--N 1.318 -0.442 0 N-CA-C 108.023 -2.031 . . . . 25.0 108.023 171.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -74.0 -18.82 60.81 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.673 0.62 . . . . 25.0 112.673 177.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -130.14 179.93 5.6 Favored 'General case' 0 C--O 1.21 -0.988 0 CA-C-N 119.074 0.852 . . . . 25.0 111.645 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -104.1 11.67 34.9 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.679 -0.638 . . . . 25.0 109.323 175.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . 0.434 ' HB3' ' CE2' ' A' ' 867' ' ' TYR . 5.9 p90 -160.33 178.21 9.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.337 -0.392 . . . . 25.0 110.421 -176.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . 0.664 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.2 OUTLIER -137.04 157.1 35.3 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.861 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 -177.831 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 41.8 p -106.8 161.79 14.36 Favored 'General case' 0 CA--C 1.501 -0.933 0 O-C-N 120.994 -1.066 . . . . 25.0 109.222 173.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 13.7 mtm -55.87 -40.32 72.75 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.839 -1.073 . . . . 25.0 109.784 176.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -71.21 -34.31 70.72 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.456 -0.793 . . . . 25.0 112.912 -177.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -70.15 -45.91 65.81 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.749 0.309 . . . . 25.0 110.859 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.7 pp -67.93 -26.46 65.98 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.833 -0.542 . . . . 25.0 110.521 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -66.55 -12.24 56.74 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.235 0.457 . . . . 25.0 112.235 177.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . 0.463 ' HG2' ' HG2' ' A' ' 851' ' ' GLU . 15.6 ptt180 -78.35 -27.46 47.03 Favored 'General case' 0 C--O 1.224 -0.263 0 N-CA-C 108.903 -0.777 . . . . 25.0 108.903 179.1 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . 0.463 ' HG2' ' HG2' ' A' ' 850' ' ' ARG . 25.5 mm-40 -85.74 -39.31 17.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.483 -0.78 . . . . 25.0 110.167 -175.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.19 77.01 77.43 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 115.842 -0.617 . . . . 25.0 110.099 179.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.21 -32.24 79.58 Favored 'Trans proline' 0 CA--C 1.553 1.432 0 N-CA-C 118.895 2.613 . . . . 25.0 118.895 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -77.48 -166.39 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.23 0 C-N-CA 114.794 -3.004 . . . . 25.0 112.809 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -49.82 -19.13 0.6 Allowed 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.739 1.385 . . . . 25.0 114.739 -178.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -50.17 -40.83 48.0 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 121.845 -0.534 . . . . 25.0 111.671 175.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.28 98.26 Favored 'General case' 0 C--O 1.214 -0.764 0 C-N-CA 121.058 -0.257 . . . . 25.0 111.492 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -65.96 -41.4 91.26 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.217 0.532 . . . . 25.0 109.681 -178.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -67.4 -26.68 66.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.278 -0.419 . . . . 25.0 110.622 175.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 39.5 m -73.29 -44.54 58.97 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 108.902 -0.777 . . . . 25.0 108.902 177.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 22.8 mt -62.35 -35.65 70.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.233 -0.654 . . . . 25.0 109.233 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.69 -8.28 19.9 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.528 0.936 . . . . 25.0 113.528 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -124.05 -33.57 3.09 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.027 1.121 . . . . 25.0 114.027 177.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 34.7 ttm -61.63 146.37 49.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.596 0.712 . . . . 25.0 112.062 -175.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -72.57 141.91 83.25 Favored Pre-proline 0 C--O 1.211 -0.929 0 CA-C-N 115.657 -0.701 . . . . 25.0 110.11 -171.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -75.9 145.41 28.45 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 CA-C-O 121.738 0.641 . . . . 25.0 112.079 177.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . 0.434 ' CE2' ' HB3' ' A' ' 842' ' ' TYR . 63.6 t80 -111.41 132.21 54.62 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.418 -0.81 . . . . 25.0 112.171 -179.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 7.1 t -137.56 36.23 2.46 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 122.193 0.997 . . . . 25.0 108.884 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -84.07 -167.57 42.54 Favored Glycine 0 CA--C 1.523 0.541 0 CA-C-N 115.443 -0.798 . . . . 25.0 114.053 -176.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -70.47 -26.23 24.46 Favored 'Trans proline' 0 C--O 1.222 -0.303 0 CA-C-N 118.677 1.239 . . . . 25.0 114.727 -178.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -97.45 19.9 12.56 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.714 0.769 . . . . 25.0 109.616 -177.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 83.9 p -75.77 154.72 36.12 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 115.803 1.779 . . . . 25.0 115.803 -171.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 4.0 m -140.28 162.79 47.87 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 103.038 -2.949 . . . . 25.0 103.038 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -68.95 -6.63 18.63 Favored 'Trans proline' 0 CA--C 1.535 0.534 0 C-N-CA 116.84 -1.64 . . . . 25.0 114.987 -176.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -111.87 26.81 11.06 Favored Glycine 0 C--O 1.227 -0.313 0 N-CA-C 112.147 -0.381 . . . . 25.0 112.147 177.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -91.97 141.12 28.98 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.961 0.726 . . . . 25.0 112.961 -175.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 54.0 mt -137.28 142.67 41.94 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.069 -1.456 . . . . 25.0 107.069 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -91.51 111.08 22.44 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 107.289 -1.374 . . . . 25.0 107.289 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -81.66 -36.38 28.85 Favored 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 109.233 -0.654 . . . . 25.0 109.233 -177.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -26.13 68.56 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 122.05 0.928 . . . . 25.0 108.521 -176.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 7.9 t -87.86 -15.45 36.72 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 114.32 1.23 . . . . 25.0 114.32 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -65.85 -38.81 89.84 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.258 0.836 . . . . 25.0 113.258 -175.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 6.2 p -57.73 -26.44 61.81 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.134 0.79 . . . . 25.0 113.134 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 12.4 t -109.16 -4.12 16.78 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.947 0.721 . . . . 25.0 112.947 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -154.72 129.09 9.06 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.493 0.923 . . . . 25.0 113.493 -177.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--N 1.325 -0.489 0 N-CA-C 104.762 -2.31 . . . . 25.0 104.762 175.768 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 C--O 1.221 -0.42 0 N-CA-C 110.677 -0.119 . . . . 25.0 110.677 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.02 -58.61 3.19 Favored 'General case' 0 CA--C 1.504 -0.814 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 -179.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 23.9 ptp -57.1 -26.32 60.26 Favored 'General case' 0 C--O 1.219 -0.504 0 C-N-CA 119.753 -0.779 . . . . 25.0 111.394 178.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.98 -55.69 26.77 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.692 -0.686 . . . . 25.0 109.632 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -72.37 -31.93 66.0 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 121.165 -0.214 . . . . 25.0 110.544 -177.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -59.27 -48.19 82.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.902 -0.499 . . . . 25.0 109.853 175.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 -66.79 -45.12 79.44 Favored 'General case' 0 CA--C 1.508 -0.647 0 N-CA-C 109.159 -0.682 . . . . 25.0 109.159 -179.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -63.89 -36.44 83.95 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.885 0.698 . . . . 25.0 112.885 -177.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 45.1 m -71.6 -41.93 68.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 118.438 0.563 . . . . 25.0 110.009 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -39.77 92.34 Favored 'General case' 0 C--O 1.209 -1.066 0 N-CA-C 107.33 -1.359 . . . . 25.0 107.33 177.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.94 -30.76 67.16 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 112.519 0.562 . . . . 25.0 112.519 179.337 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -71.11 -31.32 67.63 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.787 -0.57 . . . . 25.0 110.352 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -91.91 -38.23 12.42 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 109.014 -0.735 . . . . 25.0 109.014 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 759' ' ' ASP . . . . . 0.471 ' HA ' HD21 ' A' ' 766' ' ' LEU . 48.9 t0 -88.31 68.18 8.88 Favored 'General case' 0 CA--C 1.505 -0.778 0 CA-C-O 122.649 1.214 . . . . 25.0 109.192 179.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -75.05 -9.63 58.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.184 -1.371 . . . . 25.0 110.516 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -90.48 -10.78 42.42 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.477 -0.783 . . . . 25.0 109.242 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 51.73 40.82 28.37 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.651 1.18 . . . . 25.0 113.425 -178.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 19.0 m -72.93 -20.64 61.02 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 108.954 -0.758 . . . . 25.0 108.954 176.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 88.53 1.26 81.1 Favored Glycine 0 C--O 1.24 0.474 0 N-CA-C 110.127 -1.189 . . . . 25.0 110.127 -178.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -149.42 155.46 40.46 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.033 -1.099 . . . . 25.0 108.033 -175.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 766' ' ' LEU . . . . . 0.476 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 20.9 mt -136.35 173.19 11.97 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.939 -1.134 . . . . 25.0 107.939 176.015 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.83 173.12 54.65 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 109.857 -1.297 . . . . 25.0 109.857 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -66.53 -36.09 27.42 Favored 'Trans proline' 0 C--O 1.218 -0.525 0 CA-C-N 117.75 0.775 . . . . 25.0 112.873 -176.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -73.82 -35.93 64.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.487 0.66 . . . . 25.0 110.317 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -70.28 -51.64 28.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.938 -0.574 . . . . 25.0 110.33 -177.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 771' ' ' PHE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -61.0 -30.98 70.61 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 113.035 0.754 . . . . 25.0 113.035 174.051 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -63.34 -47.38 82.4 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 109.039 -0.726 . . . . 25.0 109.039 176.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -70.87 -24.44 62.51 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.247 0.546 . . . . 25.0 110.969 -178.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 49.4 t -62.61 -35.93 81.15 Favored 'General case' 0 C--O 1.209 -1.049 0 N-CA-C 109.429 -0.582 . . . . 25.0 109.429 176.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 14.2 mt -65.34 -33.71 76.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.817 0.818 . . . . 25.0 110.674 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 58.1 mt -59.58 -31.34 46.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 O-C-N 121.619 -0.676 . . . . 25.0 111.032 -177.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 82.8 p -63.9 -21.26 66.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.718 0.294 . . . . 25.0 111.697 178.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 16.7 mt -90.81 -18.6 24.6 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-O 121.203 0.525 . . . . 25.0 111.058 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 122.0 21.01 2.96 Favored Glycine 0 C--O 1.211 -1.282 0 CA-C-N 116.037 -0.529 . . . . 25.0 114.207 -179.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -92.1 146.03 24.05 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 107.91 -1.144 . . . . 25.0 107.91 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -101.64 33.34 3.01 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 107.882 -1.155 . . . . 25.0 107.882 178.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 57.3 mt . . . . . 0 N--CA 1.443 -0.775 0 N-CA-C 105.737 -1.949 . . . . 25.0 105.737 -177.062 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.203 -1.817 0 N-CA-C 109.65 -1.38 . . . . 25.0 109.65 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -57.5 -40.12 78.0 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 121.697 -0.884 . . . . 25.0 111.576 177.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -61.69 -36.81 81.96 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.006 0.373 . . . . 25.0 112.006 -178.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -89.39 -24.98 21.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.43 0.633 . . . . 25.0 110.189 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -68.12 -33.86 75.29 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.819 -0.808 . . . . 25.0 108.819 178.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.48 -28.06 66.68 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 121.664 0.745 . . . . 25.0 111.1 176.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -81.71 -40.98 21.95 Favored 'General case' 0 C--O 1.219 -0.553 0 N-CA-C 108.072 -1.084 . . . . 25.0 108.072 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 39.7 mt -62.16 -47.68 92.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 114.588 -1.187 . . . . 25.0 111.338 -176.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 13.9 ptt? -62.39 -26.53 68.52 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-O 120.761 0.315 . . . . 25.0 111.783 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 49.2 m -76.66 -16.92 59.41 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.507 -0.315 . . . . 25.0 110.894 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 57.8 mt -94.48 -48.64 12.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.454 0.645 . . . . 25.0 110.55 -178.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 23.2 m -75.35 -15.67 15.72 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-O 121.528 0.68 . . . . 25.0 112.675 -176.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -151.93 68.66 7.51 Favored Pre-proline 0 CA--C 1.542 0.646 0 CA-C-N 115.268 -0.878 . . . . 25.0 110.506 -174.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -71.19 -10.04 26.57 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 118.015 -0.857 . . . . 25.0 111.897 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -90.03 -9.21 49.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.314 -0.403 . . . . 25.0 110.191 -179.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? 55.06 50.51 15.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 122.259 1.028 . . . . 25.0 111.222 -177.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 87.3 mt -71.22 -26.0 62.74 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 113.978 -1.465 . . . . 25.0 108.337 174.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 89.41 19.78 47.86 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 110.776 -0.93 . . . . 25.0 110.776 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 7.8 m -145.3 153.1 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 CA-C-O 121.596 0.713 . . . . 25.0 110.105 -177.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 14.8 t -131.58 131.61 62.54 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.47 0 CA-C-N 115.19 -0.914 . . . . 25.0 109.827 -177.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.31 159.78 14.72 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.01 -0.737 . . . . 25.0 109.01 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -50.75 -44.53 58.46 Favored 'General case' 0 C--O 1.208 -1.104 0 O-C-N 123.433 0.458 . . . . 25.0 110.364 178.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -24.01 61.39 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 119.979 -0.688 . . . . 25.0 110.03 -174.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -74.95 -40.07 60.98 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.293 -0.563 . . . . 25.0 111.896 -177.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.447 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.3 p90 -70.17 -30.6 67.78 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 118.755 -1.178 . . . . 25.0 109.607 178.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 12.0 mm -63.03 -29.55 47.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.315 0.579 . . . . 25.0 109.728 177.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -61.99 -43.87 97.93 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.202 0.525 . . . . 25.0 110.731 -178.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 815' ' ' PHE . . . . . 0.447 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.6 p90 . . . . . 0 CA--C 1.508 -0.658 0 C-N-CA 119.21 -0.996 . . . . 25.0 111.766 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.52 0 N-CA-C 108.005 -1.109 . . . . 25.0 108.005 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -58.7 -39.34 80.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.087 -0.506 . . . . 25.0 111.193 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 77.4 p -67.68 -41.43 83.68 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 120.133 -0.627 . . . . 25.0 111.411 -179.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -64.64 -37.51 87.81 Favored 'General case' 0 C--O 1.202 -1.401 0 N-CA-C 108.938 -0.764 . . . . 25.0 108.938 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -60.51 -27.09 67.34 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.318 0.488 . . . . 25.0 112.318 -178.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 75.5 mt -75.52 -42.57 42.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.137 -0.69 . . . . 25.0 109.137 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . 0.436 HD11 HD11 ' A' ' 843' ' ' ILE . 0.6 OUTLIER -84.87 -27.72 26.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.899 0.857 . . . . 25.0 111.83 -176.427 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.666 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -84.27 -8.97 58.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.56 -0.746 . . . . 25.0 111.305 -178.003 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -60.15 -16.64 42.16 Favored Glycine 0 CA--C 1.523 0.561 0 O-C-N 123.855 0.722 . . . . 25.0 112.366 177.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -65.85 -29.97 70.51 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.612 0.765 . . . . 25.0 109.668 174.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -134.36 -149.92 0.37 Allowed 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 109.032 -0.729 . . . . 25.0 109.032 -177.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -125.13 10.75 8.15 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.677 -0.639 . . . . 25.0 110.048 175.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -155.87 -179.49 8.17 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 107.634 -1.247 . . . . 25.0 107.634 -176.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . 0.666 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.2 OUTLIER -131.5 149.27 32.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 N-CA-C 108.093 -1.077 . . . . 25.0 108.093 -178.128 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 39.9 p -100.59 160.32 14.44 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 107.761 -1.2 . . . . 25.0 107.761 173.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 74.9 mtm -56.6 -36.75 69.75 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 114.877 -1.056 . . . . 25.0 110.103 176.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -72.12 -36.83 69.54 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-O 121.157 0.503 . . . . 25.0 110.869 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -68.3 -44.55 75.2 Favored 'General case' 0 C--O 1.222 -0.363 0 O-C-N 121.829 -0.545 . . . . 25.0 111.111 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.7 pp -70.41 -26.2 63.58 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 119.734 -0.787 . . . . 25.0 110.994 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -71.17 -12.96 61.77 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 120.967 -1.083 . . . . 25.0 111.12 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -70.74 -25.6 62.99 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.69 -0.485 . . . . 25.0 109.69 177.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -85.16 -41.93 15.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 122.014 0.912 . . . . 25.0 110.809 -178.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.72 81.4 69.54 Favored Pre-proline 0 C--O 1.22 -0.463 0 CA-C-N 115.177 -0.92 . . . . 25.0 109.946 -177.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -63.38 -22.02 71.54 Favored 'Trans proline' 0 CA--C 1.547 1.15 0 N-CA-C 119.771 2.95 . . . . 25.0 119.771 -178.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -80.05 -164.0 0.26 Allowed 'Trans proline' 0 C--N 1.365 1.439 0 C-N-CA 113.891 -3.606 . . . . 25.0 111.711 175.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -52.4 -16.18 0.81 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.86 1.43 . . . . 25.0 114.86 -178.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -53.22 -37.71 62.27 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 121.761 -0.587 . . . . 25.0 110.963 175.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -69.88 -40.47 75.68 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.53 -0.174 . . . . 25.0 110.53 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -60.94 -45.13 95.93 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 122.642 1.21 . . . . 25.0 108.507 -177.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -67.13 -32.51 73.68 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 114.913 -1.039 . . . . 25.0 109.86 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 21.8 m -70.69 -38.38 73.68 Favored 'General case' 0 C--O 1.219 -0.513 0 O-C-N 122.083 -0.386 . . . . 25.0 110.457 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 20.6 mt -63.16 -40.31 88.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.225 -0.657 . . . . 25.0 109.225 178.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -66.06 -19.6 65.9 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.119 0.414 . . . . 25.0 112.119 178.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -101.81 -29.15 12.03 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 113.226 0.824 . . . . 25.0 113.226 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 4.9 ttm -69.2 147.13 51.74 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.376 0.607 . . . . 25.0 111.754 -177.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -74.75 144.3 79.89 Favored Pre-proline 0 N--CA 1.442 -0.866 0 CA-C-N 115.2 -0.909 . . . . 25.0 108.631 -176.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -74.24 150.57 42.34 Favored 'Trans proline' 0 N--CA 1.464 -0.26 0 CA-C-O 121.961 0.734 . . . . 25.0 112.605 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -115.85 123.62 48.62 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.254 -0.884 . . . . 25.0 111.17 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 1.9 m -128.47 47.61 2.42 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.995 0.902 . . . . 25.0 108.698 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -93.36 -167.2 38.29 Favored Glycine 0 CA--C 1.523 0.587 0 CA-C-N 115.556 -0.747 . . . . 25.0 113.741 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -70.46 -26.54 24.18 Favored 'Trans proline' 0 CA--C 1.533 0.471 0 CA-C-N 118.802 1.301 . . . . 25.0 114.858 -177.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -98.39 21.52 10.97 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 -177.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 84.0 p -74.28 150.37 40.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.814 1.292 . . . . 25.0 113.922 -171.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.9 m -138.11 164.28 41.76 Favored Pre-proline 0 C--N 1.32 -0.704 0 N-CA-C 102.769 -3.048 . . . . 25.0 102.769 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -67.44 -8.2 21.43 Favored 'Trans proline' 0 N--CA 1.475 0.386 0 C-N-CA 117.704 -1.064 . . . . 25.0 114.651 -178.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -114.12 29.02 7.95 Favored Glycine 0 CA--C 1.507 -0.45 0 N-CA-C 111.262 -0.735 . . . . 25.0 111.262 177.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -92.4 136.83 32.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.397 0.617 . . . . 25.0 111.357 -178.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 49.1 mt -135.25 137.95 43.07 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 108.078 -1.082 . . . . 25.0 108.078 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -89.43 103.29 15.94 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 107.877 -1.157 . . . . 25.0 107.877 178.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -71.42 -36.74 71.43 Favored 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 114.841 -1.072 . . . . 25.0 108.366 -177.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 3.9 ttm -62.4 -27.42 69.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.746 0.784 . . . . 25.0 110.4 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 4.7 t -88.59 -14.25 38.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.195 -0.911 . . . . 25.0 113.352 -177.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -59.88 -43.08 94.94 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 121.975 -0.453 . . . . 25.0 111.839 -177.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 60.0 m -65.69 -6.98 13.03 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.334 0.864 . . . . 25.0 113.334 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 47.5 p -109.11 -18.67 13.59 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.129 0.418 . . . . 25.0 112.129 177.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -158.86 139.85 12.89 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 122.579 0.352 . . . . 25.0 111.542 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 N--CA 1.466 0.374 0 N-CA-C 106.843 -1.54 . . . . 25.0 106.843 177.016 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.242 0 CA-C-O 117.829 -1.539 . . . . 25.0 110.998 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 50.0 m 48.65 48.1 20.14 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 124.604 0.826 . . . . 25.0 110.827 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 89.4 p -145.4 -176.91 5.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 122.123 0.963 . . . . 25.0 113.023 -175.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 1.1 mt -64.4 140.1 20.26 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 N-CA-C 115.147 1.536 . . . . 25.0 115.147 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 4.1 m -82.44 167.39 18.5 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.514 -0.766 . . . . 25.0 110.886 175.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -62.57 -39.13 92.69 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 121.169 -0.957 . . . . 25.0 110.416 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -74.74 -20.8 59.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.469 -0.787 . . . . 25.0 111.434 178.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.22 -56.02 5.38 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-O 121.013 0.435 . . . . 25.0 110.379 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 22.5 ptp -59.05 -24.54 62.96 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.195 -0.602 . . . . 25.0 110.974 178.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.5 -54.68 42.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.055 -0.52 . . . . 25.0 110.07 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -72.64 -33.45 66.61 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.43 -0.35 . . . . 25.0 110.799 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.1 -47.24 87.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.544 0.688 . . . . 25.0 110.374 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -69.12 -40.11 78.49 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 108.932 -0.766 . . . . 25.0 108.932 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.6 -39.88 92.04 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.273 0.842 . . . . 25.0 113.273 -177.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 8.3 p -68.59 -44.64 73.94 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.795 -0.362 . . . . 25.0 110.545 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -40.81 91.21 Favored 'General case' 0 C--O 1.208 -1.094 0 N-CA-C 107.788 -1.189 . . . . 25.0 107.788 177.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.99 -29.57 67.8 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.362 0.505 . . . . 25.0 112.362 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -71.59 -40.88 69.57 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.198 0.523 . . . . 25.0 110.257 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -82.3 -35.18 28.24 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.798 -0.637 . . . . 25.0 110.603 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -96.69 77.52 2.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.89 1.329 . . . . 25.0 108.331 -178.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -78.6 -6.96 57.03 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.185 -1.371 . . . . 25.0 111.506 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -87.43 -14.61 40.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 122.114 0.959 . . . . 25.0 109.005 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 55.45 37.79 29.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 113.909 -1.496 . . . . 25.0 110.553 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 32.7 t -69.51 -26.72 64.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 122.299 1.047 . . . . 25.0 109.1 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 93.96 -1.03 67.49 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 109.183 -1.567 . . . . 25.0 109.183 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 39.9 p -146.37 154.5 41.72 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 109.088 -0.708 . . . . 25.0 109.088 -176.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 766' ' ' LEU . . . . . 0.469 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 22.8 mt -138.61 173.2 11.84 Favored 'General case' 0 CA--C 1.507 -0.684 0 O-C-N 123.99 0.807 . . . . 25.0 109.02 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.23 171.82 54.41 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.597 -0.811 . . . . 25.0 111.878 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -66.2 -29.71 46.92 Favored 'Trans proline' 0 C--O 1.217 -0.539 0 C-N-CA 121.25 1.3 . . . . 25.0 113.627 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -82.59 -37.14 25.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.987 -0.446 . . . . 25.0 110.513 178.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . 0.413 ' HB2' ' HB3' ' A' ' 766' ' ' LEU . 37.7 mm-40 -63.58 -54.81 30.25 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-O 121.199 0.523 . . . . 25.0 110.389 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 771' ' ' PHE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.4 OUTLIER -59.35 -28.05 66.49 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.603 0.964 . . . . 25.0 113.603 174.238 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -68.11 -45.13 74.51 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 118.595 0.634 . . . . 25.0 109.381 178.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -70.79 -26.55 63.38 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.343 0.592 . . . . 25.0 110.38 177.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 50.0 t -62.67 -29.94 71.02 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 122.007 -0.433 . . . . 25.0 111.569 176.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 16.1 mt -68.6 -35.96 78.03 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 776' ' ' ILE . . . . . 0.485 HD11 ' HA3' ' A' ' 783' ' ' GLY . 58.4 mt -57.52 -34.65 47.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.367 -0.605 . . . . 25.0 109.367 -176.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -19.03 63.5 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.518 0.562 . . . . 25.0 112.518 178.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 22.8 mt -96.71 -15.36 21.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.834 0.349 . . . . 25.0 110.648 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 111.68 40.25 1.23 Allowed Glycine 0 N--CA 1.47 0.954 0 N-CA-C 115.208 0.843 . . . . 25.0 115.208 -178.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -108.94 132.15 54.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 122.284 -0.539 . . . . 25.0 109.957 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -81.72 47.91 1.14 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.699 0.8 . . . . 25.0 111.067 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 60.5 mt -121.87 81.8 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 108.451 -0.944 . . . . 25.0 108.451 -175.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . 0.485 ' HA3' HD11 ' A' ' 776' ' ' ILE . . . -169.45 106.02 0.24 Allowed Glycine 0 C--O 1.202 -1.867 0 C-N-CA 121.254 -0.498 . . . . 25.0 113.957 179.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 60.69 19.09 9.13 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.639 0.775 . . . . 25.0 113.036 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -109.4 144.35 29.62 Favored Pre-proline 0 C--N 1.327 -0.394 0 N-CA-C 106.073 -1.825 . . . . 25.0 106.073 175.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 786' ' ' PRO . . . . . 0.403 ' HG2' HE21 ' A' ' 787' ' ' GLN . 73.9 Cg_endo -70.86 -21.76 27.92 Favored 'Trans proline' 0 N--CA 1.476 0.488 0 CA-C-N 118.073 0.348 . . . . 25.0 112.963 -175.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 787' ' ' GLN . . . . . 0.403 HE21 ' HG2' ' A' ' 786' ' ' PRO . 40.1 mm-40 -80.6 -37.67 30.75 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 108.177 -1.045 . . . . 25.0 108.177 179.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -65.88 -41.74 95.32 Favored Glycine 0 C--O 1.204 -1.751 0 N-CA-C 108.012 -2.035 . . . . 25.0 108.012 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -61.43 -37.1 82.27 Favored 'General case' 0 C--N 1.317 -0.813 0 O-C-N 122.051 -0.676 . . . . 25.0 110.915 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -65.41 -36.86 85.22 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.586 0.708 . . . . 25.0 111.728 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -86.01 -25.96 25.67 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.399 -0.813 . . . . 25.0 110.97 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.24 -33.69 76.33 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.092 -1.077 . . . . 25.0 108.092 177.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.9 -29.12 68.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.468 0.651 . . . . 25.0 110.752 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -75.84 -42.64 49.07 Favored 'General case' 0 CA--C 1.503 -0.846 0 N-CA-C 108.028 -1.101 . . . . 25.0 108.028 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 71.6 mt -65.31 -49.85 76.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 114.158 -1.383 . . . . 25.0 111.201 -174.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 19.0 ptt? -61.09 -28.2 68.91 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.904 0.383 . . . . 25.0 111.51 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 49.8 m -74.39 -18.22 60.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.377 -0.827 . . . . 25.0 112.839 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 77.0 mt -93.7 -47.95 13.38 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.014 0 CA-C-O 121.027 0.441 . . . . 25.0 109.908 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.426 ' HB ' HG13 ' A' ' 807' ' ' VAL . 20.9 m -76.72 -14.99 14.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.805 -0.634 . . . . 25.0 111.473 -176.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -150.81 67.32 7.82 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 121.981 0.896 . . . . 25.0 112.502 -176.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -72.85 -6.83 19.73 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 118.447 -0.569 . . . . 25.0 112.095 177.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -92.36 -4.63 53.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.283 -0.261 . . . . 25.0 111.2 -179.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? 54.06 50.32 16.89 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.764 0.793 . . . . 25.0 111.522 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 86.7 mt -75.57 -24.6 56.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.079 -1.419 . . . . 25.0 108.693 175.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 83.94 20.65 59.05 Favored Glycine 0 C--O 1.223 -0.569 0 CA-C-N 115.035 -0.984 . . . . 25.0 111.064 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 9.9 m -147.08 156.53 10.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 117.547 0.674 . . . . 25.0 110.284 -176.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 807' ' ' VAL . . . . . 0.426 HG13 ' HB ' ' A' ' 799' ' ' VAL . 10.8 t -131.79 133.04 61.69 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.047 0 C-N-CA 123.113 0.565 . . . . 25.0 110.264 -177.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.73 160.85 14.15 Favored 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 109.376 -0.601 . . . . 25.0 109.376 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -54.22 -42.43 69.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.557 0.694 . . . . 25.0 109.468 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.84 -24.82 61.76 Favored 'General case' 0 C--N 1.316 -0.853 0 O-C-N 121.923 -0.486 . . . . 25.0 110.168 -175.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -75.14 -40.74 59.46 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.4 -0.52 . . . . 25.0 112.108 -177.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.413 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.1 p90 -68.4 -31.8 71.4 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 118.022 -1.471 . . . . 25.0 109.613 176.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 13.5 mm -63.27 -30.01 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 121.408 0.623 . . . . 25.0 109.554 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -59.37 -41.48 89.41 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.333 -0.394 . . . . 25.0 110.526 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 815' ' ' PHE . . . . . 0.413 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 4.3 p90 -83.07 -26.88 30.68 Favored 'General case' 0 C--O 1.214 -0.776 0 C-N-CA 119.665 -0.814 . . . . 25.0 111.493 176.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.06 -34.17 77.45 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 107.367 -1.345 . . . . 25.0 107.367 -177.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 34.1 t -62.43 -21.85 65.73 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 123.401 0.68 . . . . 25.0 112.354 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 -85.96 -33.89 21.01 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 110.121 -0.325 . . . . 25.0 110.121 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -80.69 -30.44 36.41 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.585 0.707 . . . . 25.0 111.338 -178.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 7.0 t -81.3 2.57 27.56 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 112.369 0.507 . . . . 25.0 112.369 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -56.57 -40.22 74.81 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 114.326 1.232 . . . . 25.0 114.326 -176.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -102.48 28.97 5.54 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 115.701 -0.681 . . . . 25.0 112.793 -175.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 4.8 t -145.26 165.52 28.15 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.282 -0.886 . . . . 25.0 110.712 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -155.15 169.63 23.69 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 122.213 1.006 . . . . 25.0 111.893 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 49.7 p -136.65 154.58 50.6 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 106.1 -1.815 . . . . 25.0 106.1 172.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -59.65 -35.09 73.71 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.12 0.486 . . . . 25.0 111.812 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -60.2 -57.29 13.45 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.13 0.491 . . . . 25.0 111.802 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -68.51 -28.82 67.34 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 113.747 1.017 . . . . 25.0 113.747 -176.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 4.6 p -75.19 -42.23 44.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 118.9 -1.12 . . . . 25.0 110.026 -177.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -40.92 76.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.441 0.639 . . . . 25.0 110.218 179.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.86 -42.67 98.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.894 -0.593 . . . . 25.0 110.79 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 54.9 m -66.6 -38.95 88.07 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.923 0.712 . . . . 25.0 112.923 -176.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -60.19 -39.52 86.81 Favored 'General case' 0 C--O 1.216 -0.669 0 C-N-CA 119.75 -0.78 . . . . 25.0 111.284 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -62.27 -23.36 66.66 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.572 0.582 . . . . 25.0 112.572 -178.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 74.9 mt -76.83 -42.6 33.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 108.309 -0.997 . . . . 25.0 108.309 -177.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.87 -28.2 24.55 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.282 -0.567 . . . . 25.0 112.364 -176.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.61 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -100.8 13.11 36.06 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 113.042 0.756 . . . . 25.0 113.042 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -61.72 -19.11 57.97 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 120.573 -0.823 . . . . 25.0 112.019 176.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -79.16 -18.52 52.94 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.14 0.576 . . . . 25.0 111.821 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -130.07 -169.77 2.19 Favored 'General case' 0 C--O 1.213 -0.858 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 -178.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -114.08 10.66 17.48 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 122.089 -0.382 . . . . 25.0 110.39 175.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -154.43 174.35 15.01 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 122.09 0.156 . . . . 25.0 110.75 -175.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . 0.61 HD12 ' HB2' ' A' ' 837' ' ' ALA . 2.2 tp -128.9 149.27 33.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 107.592 -1.262 . . . . 25.0 107.592 -176.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 45.0 p -100.53 159.14 15.39 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 121.036 -1.04 . . . . 25.0 109.969 172.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 72.6 mtm -59.85 -32.4 70.65 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 121.71 0.767 . . . . 25.0 109.941 175.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -66.5 -46.6 75.72 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.838 -0.619 . . . . 25.0 110.982 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -66.44 -46.36 76.71 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.979 -0.555 . . . . 25.0 111.442 -177.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.7 pp -65.49 -24.17 67.08 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.301 0.482 . . . . 25.0 112.301 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -71.41 -17.27 62.41 Favored 'General case' 0 C--O 1.222 -0.375 0 O-C-N 121.387 -0.82 . . . . 25.0 109.987 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -72.0 -27.12 62.53 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.329 -0.857 . . . . 25.0 109.06 175.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -81.54 -39.42 24.69 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 112.474 0.546 . . . . 25.0 112.474 -174.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.78 83.51 16.49 Favored Pre-proline 0 C--O 1.213 -0.865 0 N-CA-C 108.378 -0.971 . . . . 25.0 108.378 178.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -62.23 -24.34 76.06 Favored 'Trans proline' 0 CA--C 1.556 1.592 0 N-CA-C 120.622 3.278 . . . . 25.0 120.622 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -77.08 -161.2 0.13 Allowed 'Trans proline' 0 C--N 1.358 1.068 0 C-N-CA 115.165 -2.757 . . . . 25.0 111.363 177.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -59.18 -12.99 6.01 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 114.71 1.374 . . . . 25.0 114.71 -177.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -53.4 -37.05 62.14 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.911 -0.493 . . . . 25.0 110.136 174.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.34 -42.29 96.34 Favored 'General case' 0 C--O 1.218 -0.586 0 C-N-CA 122.148 0.179 . . . . 25.0 110.934 175.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -66.48 -40.81 89.51 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.144 -1.058 . . . . 25.0 108.144 -178.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -65.37 -26.73 68.14 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.887 -0.597 . . . . 25.0 109.853 177.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 44.2 m -77.34 -45.26 26.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.636 -0.665 . . . . 25.0 110.133 177.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 29.3 mt -60.51 -35.01 60.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.18 -8.41 17.11 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.057 1.132 . . . . 25.0 114.057 177.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -123.01 -29.04 3.98 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.549 0.944 . . . . 25.0 113.549 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.09 140.69 58.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.648 0.737 . . . . 25.0 112.873 -176.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -71.72 142.28 85.77 Favored Pre-proline 0 C--O 1.216 -0.695 0 CA-C-N 115.67 -0.695 . . . . 25.0 109.327 -177.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -76.0 153.1 36.88 Favored 'Trans proline' 0 C--N 1.349 0.563 0 CA-C-N 119.236 0.763 . . . . 25.0 112.88 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -117.37 127.99 54.59 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.365 0.876 . . . . 25.0 113.365 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 3.0 m -134.39 53.95 1.97 Allowed 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.899 0.857 . . . . 25.0 109.051 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -96.34 -164.82 33.48 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-N 115.644 -0.707 . . . . 25.0 112.54 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.57 -25.08 35.11 Favored 'Trans proline' 0 C--O 1.221 -0.331 0 CA-C-N 118.994 1.397 . . . . 25.0 115.06 -177.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -99.6 17.95 19.2 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.643 0.735 . . . . 25.0 110.937 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 15.6 p -69.58 146.1 52.02 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 115.153 1.538 . . . . 25.0 115.153 -172.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 8.9 m -134.89 163.62 49.93 Favored Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 102.619 -3.104 . . . . 25.0 102.619 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -58.31 -25.36 72.33 Favored 'Trans proline' 0 C--N 1.351 0.703 0 N-CA-C 115.678 1.376 . . . . 25.0 115.678 -176.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -104.42 28.47 14.92 Favored Glycine 0 C--O 1.225 -0.408 0 C-N-CA 120.743 -0.741 . . . . 25.0 113.798 178.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -85.13 133.75 34.2 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 122.011 -0.7 . . . . 25.0 110.795 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 60.4 mt -135.62 139.18 43.6 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.518 -1.29 . . . . 25.0 107.518 -178.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -88.21 101.26 13.66 Favored 'General case' 0 C--N 1.312 -1.06 0 O-C-N 121.144 -0.972 . . . . 25.0 109.513 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -74.29 -29.09 61.49 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-N 115.968 -0.56 . . . . 25.0 110.404 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -34.72 78.37 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.209 -1.034 . . . . 25.0 108.209 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 8.0 t -77.01 -32.18 56.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.388 -1.278 . . . . 25.0 112.188 -177.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -51.83 -41.12 61.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.255 0.55 . . . . 25.0 112.052 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 9.6 t -47.83 -30.94 4.45 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 115.871 1.804 . . . . 25.0 115.871 173.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 9.1 t -115.78 -8.3 12.0 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.281 1.215 . . . . 25.0 114.281 -179.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -152.99 136.16 15.65 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.324 0.49 . . . . 25.0 112.324 -178.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -146.51 154.7 41.86 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 105.622 -1.992 . . . . 25.0 105.622 178.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -119.9 -5.73 10.08 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 114.722 1.379 . . . . 25.0 114.722 -178.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -69.06 -24.81 75.78 Favored Glycine 0 C--O 1.227 -0.322 0 C-N-CA 120.266 -0.968 . . . . 25.0 112.43 -177.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -122.63 53.26 1.27 Allowed 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 107.861 -1.162 . . . . 25.0 107.861 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 74.9 m -72.33 -13.87 61.6 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 114.243 1.201 . . . . 25.0 114.243 -176.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -117.06 17.43 14.88 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 123.029 0.532 . . . . 25.0 111.943 -177.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 9.2 tt . . . . . 0 C--O 1.249 1.058 0 CA-C-O 117.776 -1.107 . . . . 25.0 112.181 178.922 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 CA-C-O 118.985 -0.897 . . . . 25.0 111.828 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 8.0 t 55.89 45.13 24.65 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 115.024 1.49 . . . . 25.0 115.024 177.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 62.9 p -74.48 -14.04 60.78 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 114.184 1.179 . . . . 25.0 114.184 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 4.1 mt -61.14 123.48 13.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 N-CA-C 116.637 2.088 . . . . 25.0 116.637 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 49.2 m -90.03 171.06 9.82 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 112.844 -1.98 . . . . 25.0 107.553 173.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -61.98 -35.34 78.21 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 120.987 -1.071 . . . . 25.0 110.358 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.18 -22.53 59.36 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.451 -0.34 . . . . 25.0 111.233 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.76 -57.17 4.29 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.234 0.54 . . . . 25.0 109.883 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 22.3 ptp -57.74 -25.46 60.44 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.674 -0.81 . . . . 25.0 111.091 178.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -54.45 36.16 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.545 -0.752 . . . . 25.0 110.791 179.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -72.78 -31.67 65.04 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.246 -0.434 . . . . 25.0 110.001 -177.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -59.11 -48.65 80.84 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.476 -0.564 . . . . 25.0 109.476 174.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -65.27 -45.37 84.79 Favored 'General case' 0 CA--C 1.508 -0.635 0 O-C-N 122.252 -0.28 . . . . 25.0 110.511 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -62.46 -39.24 92.76 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.554 0.575 . . . . 25.0 112.554 -178.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 44.5 m -66.86 -43.96 82.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 118.198 0.454 . . . . 25.0 110.842 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -41.19 97.42 Favored 'General case' 0 C--O 1.208 -1.11 0 N-CA-C 108.597 -0.89 . . . . 25.0 108.597 177.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.42 -32.52 71.54 Favored 'General case' 0 C--O 1.22 -0.498 0 N-CA-C 112.798 0.666 . . . . 25.0 112.798 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -67.19 -37.3 83.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.058 0.456 . . . . 25.0 110.371 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -87.21 -35.79 18.35 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.016 -0.538 . . . . 25.0 110.09 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . 0.469 ' HA ' HD21 ' A' ' 766' ' ' LEU . 57.0 t0 -88.57 69.68 8.87 Favored 'General case' 0 CA--C 1.502 -0.897 0 CA-C-O 122.613 1.197 . . . . 25.0 108.457 -179.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 27.3 mtp-105 -75.44 -1.99 26.61 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 113.964 -1.471 . . . . 25.0 110.913 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -95.26 -11.41 27.99 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 107.722 -1.214 . . . . 25.0 107.722 178.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 53.22 36.28 22.2 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 114.474 -1.239 . . . . 25.0 111.849 -178.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 45.2 t -69.13 -27.35 65.48 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.902 -1.045 . . . . 25.0 110.572 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 94.63 1.63 63.74 Favored Glycine 0 C--O 1.241 0.561 0 N-CA-C 109.003 -1.639 . . . . 25.0 109.003 -177.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -149.56 154.94 39.5 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 123.536 0.734 . . . . 25.0 109.189 -175.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 766' ' ' LEU . . . . . 0.469 HD21 ' HA ' ' A' ' 759' ' ' ASP . 14.5 mt -137.2 173.43 11.7 Favored 'General case' 0 CA--C 1.503 -0.844 0 N-CA-C 108.1 -1.074 . . . . 25.0 108.1 177.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.65 171.01 54.53 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 109.025 -1.63 . . . . 25.0 109.025 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -66.98 -34.05 30.49 Favored 'Trans proline' 0 C--O 1.221 -0.36 0 CA-C-N 118.499 1.15 . . . . 25.0 112.176 -178.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -74.42 -37.41 63.33 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.099 0.476 . . . . 25.0 111.029 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 82.0 mm-40 -64.28 -55.02 24.27 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.719 -0.474 . . . . 25.0 109.719 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 771' ' ' PHE . . . . . 0.455 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.4 OUTLIER -58.01 -33.52 69.04 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 112.677 0.621 . . . . 25.0 112.677 174.688 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -60.79 -46.99 88.34 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.056 0.844 . . . . 25.0 110.487 176.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -73.42 -24.21 60.23 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.467 0.651 . . . . 25.0 111.016 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 50.1 t -64.86 -35.1 80.05 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.726 -0.842 . . . . 25.0 108.726 176.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 10.6 mt -66.11 -33.94 76.92 Favored 'General case' 0 C--O 1.21 -0.983 0 CA-C-O 121.083 0.468 . . . . 25.0 109.983 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.99 -32.75 48.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 121.125 0.488 . . . . 25.0 110.301 -177.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 16.1 m -62.96 -20.73 65.53 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.158 0.429 . . . . 25.0 112.158 178.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 19.2 mt -92.61 -20.55 20.76 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.192 -0.458 . . . . 25.0 110.463 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 121.39 30.97 1.21 Allowed Glycine 0 N--CA 1.463 0.497 0 CA-C-N 115.802 -0.636 . . . . 25.0 114.563 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -98.58 143.34 29.09 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 105.628 -1.99 . . . . 25.0 105.628 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -101.78 31.07 4.01 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.723 0.773 . . . . 25.0 110.861 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 77.8 mt -96.26 87.43 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 105.285 -2.117 . . . . 25.0 105.285 -178.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -163.79 106.78 0.28 Allowed Glycine 0 C--O 1.225 -0.435 0 N-CA-C 117.857 1.903 . . . . 25.0 117.857 -173.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 43.3 t30 59.56 30.06 19.67 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.143 0.977 . . . . 25.0 113.142 174.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -131.33 160.35 67.56 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.488 -0.778 . . . . 25.0 109.283 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.62 -16.28 24.05 Favored 'Trans proline' 0 CA--C 1.512 -0.619 0 C-N-CA 117.635 -1.11 . . . . 25.0 114.528 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -85.29 -38.03 19.31 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 118.711 -1.196 . . . . 25.0 108.17 -174.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -65.7 -45.25 90.05 Favored Glycine 0 C--O 1.211 -1.289 0 N-CA-C 108.985 -1.646 . . . . 25.0 108.985 176.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.82 -33.36 70.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 118.441 1.12 . . . . 25.0 111.924 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -62.54 -38.29 89.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.444 -0.344 . . . . 25.0 111.055 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -92.89 -20.47 20.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.856 0.836 . . . . 25.0 111.561 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.56 -33.31 70.98 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 107.251 -1.388 . . . . 25.0 107.251 175.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -60.01 -33.38 71.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.467 -0.333 . . . . 25.0 111.663 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -82.12 -28.4 32.25 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.419 HG23 ' CE2' ' A' ' 815' ' ' PHE . 52.4 mt -69.43 -50.77 48.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.791 -0.448 . . . . 25.0 109.791 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 27.3 ptm -60.59 -31.67 70.81 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-O 120.781 0.325 . . . . 25.0 110.943 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 71.2 m -67.76 -20.31 65.21 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.402 0.519 . . . . 25.0 112.402 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 69.2 mt -95.19 -47.65 13.08 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.6 0 CA-C-O 121.131 0.491 . . . . 25.0 111.088 -177.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 31.5 m -76.27 -14.4 14.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.98 -0.554 . . . . 25.0 111.741 -177.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -154.08 68.53 6.05 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-O 121.725 0.774 . . . . 25.0 110.842 -176.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -70.94 -13.11 31.5 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 117.309 -1.327 . . . . 25.0 112.555 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.19 -7.86 57.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 25.0 111.793 -177.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 58.47 47.2 13.94 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 121.644 0.735 . . . . 25.0 111.2 -178.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 85.5 mt -70.98 -25.36 62.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.737 -1.12 . . . . 25.0 108.05 175.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 88.43 20.23 49.24 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.253 -0.885 . . . . 25.0 111.798 178.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 6.1 m -145.16 152.54 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 CA-C-N 117.137 0.469 . . . . 25.0 110.405 -176.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 14.1 t -130.74 131.48 64.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.908 -0.775 . . . . 25.0 108.908 179.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.2 161.36 13.85 Favored 'General case' 0 CA--C 1.502 -0.88 0 N-CA-C 109.305 -0.628 . . . . 25.0 109.305 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -53.65 -42.91 68.33 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 115.203 -0.908 . . . . 25.0 110.053 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -21.12 59.61 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 121.756 -0.59 . . . . 25.0 109.714 -174.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -76.93 -41.78 42.03 Favored 'General case' 0 C--O 1.215 -0.731 0 C-N-CA 120.373 -0.531 . . . . 25.0 111.225 -178.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.436 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 0.9 OUTLIER -67.59 -30.53 70.16 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 118.742 -1.183 . . . . 25.0 109.65 177.066 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 17.1 mm -64.05 -26.84 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-O 121.362 0.601 . . . . 25.0 109.968 177.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.56 -49.99 75.32 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.275 -0.639 . . . . 25.0 109.275 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 815' ' ' PHE . . . . . 0.436 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.8 p90 -78.78 -24.06 44.88 Favored 'General case' 0 C--O 1.209 -1.049 0 C-N-CA 119.005 -1.078 . . . . 25.0 111.321 -177.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -63.94 -34.63 78.42 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 106.575 -1.639 . . . . 25.0 106.575 -178.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 21.7 t -70.28 -31.41 68.76 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.821 -0.627 . . . . 25.0 110.499 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -75.19 -31.47 60.96 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 113.857 1.058 . . . . 25.0 113.857 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -76.67 -19.52 57.66 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 119.496 -0.882 . . . . 25.0 111.279 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 14.6 t -110.59 17.44 20.71 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.596 -0.89 . . . . 25.0 108.596 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -61.86 -70.66 0.18 Allowed 'General case' 0 C--O 1.24 0.572 0 N-CA-C 117.501 2.408 . . . . 25.0 117.501 -171.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -146.15 -174.13 4.36 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.788 1.033 . . . . 25.0 113.788 -166.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 15.4 t -153.6 154.14 33.67 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.582 -0.895 . . . . 25.0 108.582 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -94.05 0.22 55.8 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.195 1.183 . . . . 25.0 114.195 -175.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 48.2 p -55.36 -22.51 19.8 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 116.762 2.134 . . . . 25.0 116.762 -173.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -89.48 -18.38 26.83 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 114.753 1.39 . . . . 25.0 114.753 177.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -72.21 -33.95 67.98 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.059 -1.026 . . . . 25.0 112.369 -174.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.45 -34.87 64.87 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 114.39 1.256 . . . . 25.0 114.39 -175.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.98 -38.18 71.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.652 -0.87 . . . . 25.0 108.652 -177.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . 0.41 ' HE1' ' O ' ' A' ' 879' ' ' TYR . 0.1 OUTLIER -72.16 -38.16 69.2 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 179.863 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.74 -41.73 91.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.933 -0.576 . . . . 25.0 110.409 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 60.1 p -60.22 -41.37 92.93 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.17 0.433 . . . . 25.0 112.17 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -68.45 -34.32 75.75 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.798 -0.564 . . . . 25.0 109.763 -179.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -68.2 -21.32 64.87 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.59 0.589 . . . . 25.0 112.59 -178.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 72.5 mt -83.78 -39.66 15.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 108.599 -0.889 . . . . 25.0 108.599 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.72 -29.83 25.24 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.052 -0.659 . . . . 25.0 111.758 -175.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.625 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -108.59 17.35 22.09 Favored 'General case' 0 C--O 1.205 -1.266 0 CA-C-N 115.707 -0.679 . . . . 25.0 112.424 -178.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -58.12 -24.97 56.21 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 109.21 -1.556 . . . . 25.0 109.21 171.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -67.79 -25.33 65.54 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.897 0.703 . . . . 25.0 112.897 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -128.5 178.51 6.24 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 118.776 0.717 . . . . 25.0 111.119 -176.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -102.89 14.73 31.26 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.859 -0.793 . . . . 25.0 108.859 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -159.43 175.82 12.86 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.296 -1.001 . . . . 25.0 108.296 -176.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . 0.625 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.5 OUTLIER -136.77 155.27 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 N-CA-C 108.09 -1.078 . . . . 25.0 108.09 -178.015 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 37.4 p -103.68 158.14 16.58 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.543 0.687 . . . . 25.0 109.811 172.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 72.4 mtm -58.81 -36.49 74.57 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.554 -1.203 . . . . 25.0 109.931 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -68.57 -35.9 78.03 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.716 -0.675 . . . . 25.0 112.265 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -71.62 -46.37 59.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 122.234 -0.291 . . . . 25.0 111.455 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.2 pp -68.38 -26.53 65.61 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.607 -0.437 . . . . 25.0 110.039 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 22.5 mtt-85 -64.79 -12.76 51.24 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.06 0.763 . . . . 25.0 113.06 177.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 4.1 ptp85 -79.74 -29.46 40.58 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.102 0.477 . . . . 25.0 110.544 177.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -82.6 -37.93 24.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.472 -0.785 . . . . 25.0 110.13 -172.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.94 79.04 69.4 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 108.483 -0.932 . . . . 25.0 108.483 176.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -54.53 -33.26 77.64 Favored 'Trans proline' 0 CA--C 1.55 1.304 0 N-CA-C 118.69 2.535 . . . . 25.0 118.69 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -77.03 -166.74 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 C-N-CA 114.667 -3.089 . . . . 25.0 112.792 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -51.88 -16.54 0.73 Allowed 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.953 1.464 . . . . 25.0 114.953 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -52.98 -35.81 59.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.923 -0.486 . . . . 25.0 111.365 176.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -65.81 -39.7 91.16 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 120.799 -0.361 . . . . 25.0 111.338 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -65.21 -42.23 93.68 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.588 -0.893 . . . . 25.0 108.588 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -65.86 -29.32 69.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.792 -0.64 . . . . 25.0 110.283 177.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 36.5 m -73.16 -40.84 64.52 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 109.658 -0.497 . . . . 25.0 109.658 178.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 19.8 mt -64.08 -37.28 79.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.069 -0.715 . . . . 25.0 109.069 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -68.16 -13.54 62.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.096 -0.502 . . . . 25.0 111.937 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -107.45 -33.25 7.41 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 112.819 0.674 . . . . 25.0 112.819 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 6.1 ttm -66.87 160.77 25.39 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 113.268 0.84 . . . . 25.0 113.268 -175.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -86.33 142.82 35.86 Favored Pre-proline 0 C--N 1.319 -0.744 0 N-CA-C 107.368 -1.345 . . . . 25.0 107.368 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -76.29 152.11 34.59 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 CA-C-N 118.69 0.568 . . . . 25.0 111.978 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -109.17 138.33 45.69 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 113.745 1.017 . . . . 25.0 113.745 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 59.4 m -140.26 123.62 16.93 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 105.14 -2.17 . . . . 25.0 105.14 172.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -177.94 -170.13 39.76 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.459 -0.876 . . . . 25.0 111.883 -177.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.72 -28.15 31.03 Favored 'Trans proline' 0 C--O 1.221 -0.338 0 CA-C-N 119.067 1.434 . . . . 25.0 114.494 -177.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -98.9 16.74 21.42 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.747 0.785 . . . . 25.0 109.832 -177.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 83.0 p -72.95 148.53 44.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 122.632 1.206 . . . . 25.0 113.524 -174.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 5.6 m -138.17 163.55 46.77 Favored Pre-proline 0 C--N 1.318 -0.779 0 N-CA-C 103.109 -2.922 . . . . 25.0 103.109 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.37 -7.91 21.49 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 116.949 -1.567 . . . . 25.0 115.381 -176.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -115.53 32.64 5.61 Favored Glycine 0 C--O 1.223 -0.566 0 N-CA-C 112.28 -0.328 . . . . 25.0 112.28 177.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -94.37 137.67 33.24 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.733 0.642 . . . . 25.0 112.733 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 49.4 mt -134.87 143.22 46.87 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 106.814 -1.55 . . . . 25.0 106.814 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -91.45 111.08 22.43 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 106.452 -1.685 . . . . 25.0 106.452 177.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . 0.41 ' O ' ' HE1' ' A' ' 830' ' ' MET . 8.6 p90 -84.79 -33.24 23.02 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-O 121.603 0.716 . . . . 25.0 109.439 -178.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 3.3 mtt -65.08 -24.31 67.42 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.766 -0.827 . . . . 25.0 108.766 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.8 t -89.96 -16.92 28.89 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.219 -0.901 . . . . 25.0 113.162 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -56.74 -39.1 73.35 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.141 0.793 . . . . 25.0 113.141 -177.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 24.4 m -58.2 -24.36 58.82 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.151 1.167 . . . . 25.0 114.151 178.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 14.7 t -109.09 -7.73 15.28 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.85 0.685 . . . . 25.0 112.85 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -153.71 127.6 8.89 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.232 0.456 . . . . 25.0 112.232 -177.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 1.2 pp -146.69 152.09 38.27 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 106.188 -1.782 . . . . 25.0 106.188 177.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -122.62 -6.37 8.63 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.196 0.443 . . . . 25.0 112.196 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -95.92 47.8 1.83 Allowed Glycine 0 C--O 1.226 -0.362 0 N-CA-C 111.351 -0.7 . . . . 25.0 111.351 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -66.18 139.59 58.13 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.922 -0.77 . . . . 25.0 108.922 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 31.0 t -164.54 164.36 21.75 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 106.56 -1.645 . . . . 25.0 106.56 -175.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -72.99 -24.16 60.73 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.708 0.766 . . . . 25.0 108.965 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 46.4 tp . . . . . 0 C--O 1.248 0.978 0 CA-C-O 117.196 -1.383 . . . . 25.0 108.815 179.498 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 CA-C-O 117.989 -1.45 . . . . 25.0 110.969 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 3.6 m -52.32 117.48 2.86 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 114.364 1.246 . . . . 25.0 114.364 -176.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 35.9 t -76.44 -36.42 57.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 122.237 1.018 . . . . 25.0 108.814 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 3.5 mt -79.6 116.45 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 N-CA-C 115.958 1.836 . . . . 25.0 115.958 -178.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 67.9 m -92.34 173.64 7.7 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 111.443 -2.617 . . . . 25.0 105.925 170.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.95 -35.74 81.16 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.307 -1.496 . . . . 25.0 110.599 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -72.21 -24.76 61.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.158 -0.474 . . . . 25.0 110.993 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.05 -55.85 7.38 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 121.247 0.546 . . . . 25.0 110.278 178.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 23.7 ptp -59.17 -26.27 64.64 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 119.566 -0.854 . . . . 25.0 110.385 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -56.37 20.31 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.052 -0.522 . . . . 25.0 109.778 178.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -72.0 -30.78 65.58 Favored 'General case' 0 C--O 1.215 -0.742 0 CA-C-N 116.674 -0.239 . . . . 25.0 110.881 -177.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -59.47 -50.45 73.88 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.917 -0.772 . . . . 25.0 108.917 175.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -65.25 -44.3 88.57 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 116.289 -0.414 . . . . 25.0 110.773 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -66.7 -37.93 85.73 Favored 'General case' 0 C--O 1.209 -1.034 0 N-CA-C 112.371 0.508 . . . . 25.0 112.371 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 43.4 m -69.09 -42.17 76.5 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 118.584 0.629 . . . . 25.0 111.21 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -41.74 98.21 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 107.942 -1.133 . . . . 25.0 107.942 176.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.92 -34.04 75.85 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.226 0.454 . . . . 25.0 112.226 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -69.38 -36.47 76.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.905 -0.497 . . . . 25.0 110.809 -177.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -84.65 -35.97 22.27 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 109.949 -0.389 . . . . 25.0 109.949 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -87.09 67.92 9.85 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-O 123.018 1.39 . . . . 25.0 108.385 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -72.29 -8.03 52.69 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 113.746 -1.57 . . . . 25.0 110.552 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -93.76 -0.14 56.05 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.671 -0.863 . . . . 25.0 108.671 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 20.5 p80 40.48 39.06 0.66 Allowed 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.252 1.421 . . . . 25.0 114.701 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 89.1 p -78.71 -19.5 52.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.671 -0.695 . . . . 25.0 111.306 -179.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 94.88 -1.31 65.38 Favored Glycine 0 C--O 1.242 0.603 0 N-CA-C 109.894 -1.282 . . . . 25.0 109.894 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 28.2 p -143.73 165.49 27.52 Favored 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 122.833 0.453 . . . . 25.0 110.755 -176.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 766' ' ' LEU . . . . . 0.483 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 15.2 mt -145.32 171.67 14.25 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 109.086 -0.709 . . . . 25.0 109.086 176.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.52 174.13 55.18 Favored Glycine 0 N--CA 1.451 -0.355 0 N-CA-C 111.002 -0.839 . . . . 25.0 111.002 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -68.78 -29.02 29.59 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 CA-C-N 118.601 1.2 . . . . 25.0 113.009 -176.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 63.9 tt0 -80.59 -37.91 30.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.059 0.457 . . . . 25.0 110.676 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -64.48 -54.12 37.52 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.089 -0.505 . . . . 25.0 110.882 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 771' ' ' PHE . . . . . 0.483 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -60.44 -28.07 68.01 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 113.198 0.814 . . . . 25.0 113.198 175.347 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -68.06 -44.88 75.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 118.628 0.649 . . . . 25.0 109.754 177.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -73.26 -24.41 60.44 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.293 0.568 . . . . 25.0 111.019 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 46.3 t -61.84 -35.35 77.99 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.161 -0.681 . . . . 25.0 109.161 175.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 16.2 mt -67.3 -33.04 74.44 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-O 120.816 0.341 . . . . 25.0 110.188 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.4 mt -59.04 -34.25 52.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 109.334 -0.617 . . . . 25.0 109.334 -177.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 15.7 m -64.1 -19.01 64.95 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.538 0.569 . . . . 25.0 112.538 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 18.8 mt -94.11 -18.12 22.1 Favored 'General case' 0 C--O 1.219 -0.536 0 O-C-N 123.81 0.693 . . . . 25.0 110.342 179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 115.26 35.32 1.34 Allowed Glycine 0 C--N 1.332 0.336 0 N-CA-C 114.924 0.73 . . . . 25.0 114.924 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -101.53 133.54 46.03 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.325 -0.991 . . . . 25.0 108.325 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -85.78 49.76 1.83 Allowed 'General case' 0 CA--C 1.546 0.825 0 CA-C-O 121.962 0.887 . . . . 25.0 110.158 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 52.4 mt -125.09 77.62 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 108.567 -0.901 . . . . 25.0 108.567 -175.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -147.02 77.69 0.25 Allowed Glycine 0 C--O 1.218 -0.873 0 N-CA-C 114.877 0.711 . . . . 25.0 114.877 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 60.0 t30 67.42 12.99 9.2 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.163 0.985 . . . . 25.0 111.238 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -80.65 149.57 68.14 Favored Pre-proline 0 C--N 1.317 -0.824 0 N-CA-C 107.177 -1.416 . . . . 25.0 107.177 176.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -71.17 -19.54 29.48 Favored 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 114.97 -2.886 . . . . 25.0 112.634 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -83.06 -38.32 22.68 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 107.975 -1.12 . . . . 25.0 107.975 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -65.03 -45.29 92.64 Favored Glycine 0 C--O 1.208 -1.476 0 N-CA-C 110.132 -1.187 . . . . 25.0 110.132 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.16 -35.95 76.47 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.697 -0.884 . . . . 25.0 110.798 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.02 85.86 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.409 -0.359 . . . . 25.0 111.471 -178.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -87.69 -25.99 23.21 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 121.761 0.791 . . . . 25.0 110.402 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -68.93 -35.09 76.4 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.821 -0.807 . . . . 25.0 108.821 178.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -60.8 -28.58 68.88 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-O 121.567 0.698 . . . . 25.0 111.165 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -79.34 -38.43 35.15 Favored 'General case' 0 CA--C 1.482 -1.653 0 CA-C-O 123.655 1.693 . . . . 25.0 111.06 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 57.5 mt -65.73 -47.75 84.8 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.404 0 CA-C-N 113.614 -1.63 . . . . 25.0 109.014 -176.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 25.8 ptm -62.98 -29.16 70.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.035 0.445 . . . . 25.0 110.657 -178.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 49.7 m -72.66 -17.73 61.63 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.891 0.33 . . . . 25.0 111.891 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 74.5 mt -95.19 -47.74 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.621 0 CA-C-O 121.07 0.462 . . . . 25.0 110.839 -177.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 33.2 m -74.81 -15.88 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.837 -0.62 . . . . 25.0 112.034 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -150.19 65.1 7.16 Favored Pre-proline 0 CA--C 1.541 0.627 0 N-CA-C 113.341 0.867 . . . . 25.0 113.341 -175.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -74.15 -5.46 17.01 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 117.543 -1.171 . . . . 25.0 111.528 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.77 -11.38 51.19 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.159 -0.473 . . . . 25.0 110.901 -178.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 60.12 47.44 9.48 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.82 0.848 . . . . 25.0 111.085 -177.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 89.1 mt -72.81 -26.46 61.51 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.997 -1.112 . . . . 25.0 107.997 175.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.01 18.25 61.49 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 114.907 -1.042 . . . . 25.0 110.927 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 13.9 m -149.18 158.06 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 109.713 -0.476 . . . . 25.0 109.713 -175.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 11.4 t -130.14 133.97 63.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.463 -0.569 . . . . 25.0 109.463 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.26 161.65 13.71 Favored 'General case' 0 CA--C 1.508 -0.66 0 N-CA-C 108.985 -0.746 . . . . 25.0 108.985 178.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -54.08 -41.24 68.01 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-O 121.787 0.804 . . . . 25.0 110.433 177.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -21.57 58.93 Favored 'General case' 0 C--N 1.316 -0.879 0 O-C-N 121.188 -0.945 . . . . 25.0 109.973 -175.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -75.8 -41.98 51.31 Favored 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 120.404 -0.518 . . . . 25.0 111.23 -177.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.8 -30.56 70.79 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 119.637 -0.825 . . . . 25.0 109.452 176.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 17.3 mm -64.81 -25.9 38.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 N-CA-C 109.663 -0.495 . . . . 25.0 109.663 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -63.15 -43.57 97.93 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 121.291 -0.881 . . . . 25.0 110.85 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -77.29 -23.44 51.09 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 119.022 -1.071 . . . . 25.0 111.355 177.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -29.96 67.54 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 106.871 -1.529 . . . . 25.0 106.871 179.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 41.2 t -63.17 -27.04 69.09 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 121.287 -0.883 . . . . 25.0 109.8 175.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 39.5 mmt-85 -75.66 -32.4 60.17 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-O 118.876 -0.583 . . . . 25.0 112.479 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.57 -30.81 59.79 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 108.941 -0.763 . . . . 25.0 108.941 176.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 95.8 m -63.33 -35.46 80.46 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-O 121.697 0.761 . . . . 25.0 109.166 175.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . 52.46 40.07 28.92 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 114.731 -1.122 . . . . 25.0 113.973 175.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -109.87 148.79 30.88 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.978 -0.749 . . . . 25.0 108.978 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 8.8 t -162.39 18.29 0.09 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.953 -0.567 . . . . 25.0 109.525 -177.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -65.62 145.05 56.53 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.791 1.034 . . . . 25.0 113.791 -176.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 60.1 p -125.41 -6.08 7.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.744 -1.117 . . . . 25.0 110.181 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -72.16 -31.67 66.16 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.59 -0.152 . . . . 25.0 110.59 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -52.43 -38.27 58.74 Favored 'General case' 0 C--O 1.212 -0.882 0 N-CA-C 110.315 -0.254 . . . . 25.0 110.315 177.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -55.39 -50.11 70.58 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.993 0.738 . . . . 25.0 112.993 -178.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 11.4 p -78.36 -32.9 17.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.124 -0.695 . . . . 25.0 109.124 -175.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 9.5 tpt -66.62 -39.12 88.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.529 0.68 . . . . 25.0 110.215 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -63.61 -36.22 83.1 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.697 -0.683 . . . . 25.0 110.405 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 57.7 p -61.89 -42.12 98.7 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 120.734 -0.386 . . . . 25.0 111.255 -178.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -64.66 -38.07 89.75 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 122.054 0.931 . . . . 25.0 110.07 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -69.32 -20.13 63.87 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.398 -0.819 . . . . 25.0 112.862 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 52.7 mt -81.25 -40.67 18.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 107.649 -1.241 . . . . 25.0 107.649 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.62 -31.63 24.13 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.849 -0.74 . . . . 25.0 111.654 -175.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.525 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -106.7 17.54 23.09 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 112.156 0.428 . . . . 25.0 112.156 -177.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -65.21 -8.71 38.22 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.75 -0.94 . . . . 25.0 110.75 173.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -80.64 -21.68 41.22 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 122.681 0.393 . . . . 25.0 110.021 175.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -129.82 -162.65 1.22 Allowed 'General case' 0 C--O 1.217 -0.651 0 CA-C-O 121.671 0.748 . . . . 25.0 110.69 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -120.21 11.71 11.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.217 -0.901 . . . . 25.0 108.727 178.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -157.59 173.35 16.99 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 107.117 -1.438 . . . . 25.0 107.117 -176.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . 0.525 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.9 OUTLIER -136.67 154.24 31.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 107.755 -1.202 . . . . 25.0 107.755 -176.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 40.6 p -102.33 160.67 14.33 Favored 'General case' 0 C--N 1.31 -1.135 0 O-C-N 120.869 -1.145 . . . . 25.0 109.021 173.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 74.3 mtm -59.75 -31.83 70.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.049 -0.978 . . . . 25.0 110.202 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -70.88 -42.66 69.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.312 0.577 . . . . 25.0 109.899 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -65.24 -45.72 83.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.272 -0.422 . . . . 25.0 111.889 -178.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.6 pp -71.15 -26.69 63.11 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.608 -0.837 . . . . 25.0 111.193 -177.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -71.75 -9.91 58.98 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.802 -0.561 . . . . 25.0 111.535 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . 0.433 ' HG2' ' HG2' ' A' ' 851' ' ' GLU . 6.0 ptm180 -71.06 -27.98 64.03 Favored 'General case' 0 C--O 1.221 -0.434 0 O-C-N 121.343 -0.848 . . . . 25.0 109.069 179.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . 0.433 ' HG2' ' HG2' ' A' ' 850' ' ' ARG . 13.4 mm-40 -83.8 -40.71 18.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.269 -0.878 . . . . 25.0 110.222 -176.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.81 82.03 65.58 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.372 -0.831 . . . . 25.0 109.409 -178.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -62.27 -26.85 77.58 Favored 'Trans proline' 0 CA--C 1.558 1.722 0 N-CA-C 118.635 2.514 . . . . 25.0 118.635 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -77.54 -162.62 0.18 Allowed 'Trans proline' 0 C--N 1.362 1.278 1 C-N-CA 113.249 -4.034 . . . . 25.0 111.953 177.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -55.51 -15.97 3.34 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 114.883 1.438 . . . . 25.0 114.883 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 22.4 mm100 -51.36 -38.58 53.99 Favored 'General case' 0 C--O 1.218 -0.556 0 O-C-N 121.867 -0.52 . . . . 25.0 111.485 174.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -66.31 -37.97 86.65 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 122.047 -0.408 . . . . 25.0 111.406 177.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -68.05 -38.85 82.94 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.144 -0.688 . . . . 25.0 109.144 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -65.62 -31.03 71.83 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.195 -0.669 . . . . 25.0 109.195 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 59.2 m -72.8 -42.66 63.67 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 109.887 -0.412 . . . . 25.0 109.887 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 23.8 mt -62.1 -38.49 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 109.572 -0.529 . . . . 25.0 109.572 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -63.84 -17.91 63.62 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.557 0.577 . . . . 25.0 112.557 177.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -109.01 -22.72 12.03 Favored 'General case' 0 C--O 1.219 -0.553 0 O-C-N 121.497 -0.752 . . . . 25.0 112.843 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 6.9 ttm -68.4 164.68 20.4 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-O 121.104 0.478 . . . . 25.0 111.356 -177.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -95.4 145.68 29.97 Favored Pre-proline 0 N--CA 1.44 -0.967 0 N-CA-C 107.023 -1.473 . . . . 25.0 107.023 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -75.85 154.58 38.66 Favored 'Trans proline' 0 CA--C 1.52 -0.185 0 CA-C-N 118.665 0.559 . . . . 25.0 112.331 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -112.38 131.4 55.56 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.188 0.518 . . . . 25.0 110.768 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 5.0 t -137.28 40.97 2.45 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 122.402 1.096 . . . . 25.0 108.313 -177.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -90.35 -170.48 43.7 Favored Glycine 0 C--O 1.227 -0.329 0 CA-C-N 115.38 -0.827 . . . . 25.0 114.085 -177.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -68.99 -30.31 26.06 Favored 'Trans proline' 0 C--O 1.217 -0.536 0 CA-C-N 118.319 1.059 . . . . 25.0 114.73 -178.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -98.95 28.68 4.22 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.77 0.795 . . . . 25.0 109.305 -177.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 59.7 p -77.19 152.35 34.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.962 0.887 . . . . 25.0 113.368 -175.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 13.7 m -136.61 161.75 60.12 Favored Pre-proline 0 C--N 1.318 -0.8 0 N-CA-C 105.227 -2.138 . . . . 25.0 105.227 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -58.71 -17.38 35.48 Favored 'Trans proline' 0 C--N 1.353 0.77 0 N-CA-C 115.733 1.397 . . . . 25.0 115.733 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -114.14 32.5 5.92 Favored Glycine 0 C--O 1.23 -0.128 0 C-N-CA 121.742 -0.266 . . . . 25.0 113.107 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -93.34 139.84 30.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.295 0.569 . . . . 25.0 112.152 -177.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 76.6 mt -136.39 141.88 43.7 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.401 -0.963 . . . . 25.0 108.401 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -89.9 104.39 16.96 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 106.418 -1.697 . . . . 25.0 106.418 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -78.61 -33.37 47.45 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.403 -0.817 . . . . 25.0 108.993 -177.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 11.1 ttp -62.78 -30.2 71.28 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.871 -0.788 . . . . 25.0 108.871 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 8.1 t -81.97 -24.36 35.54 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.075 -0.966 . . . . 25.0 112.646 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -56.76 -41.06 76.94 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 122.094 -0.379 . . . . 25.0 111.725 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 22.0 t -55.04 -19.99 8.37 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.723 1.008 . . . . 25.0 113.723 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 31.1 p -108.74 -17.63 13.9 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 114.059 1.133 . . . . 25.0 114.059 -177.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -156.93 142.43 17.49 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.35 0.5 . . . . 25.0 112.35 -177.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -141.33 146.44 36.72 Favored 'General case' 0 C--O 1.222 -0.392 0 N-CA-C 107.57 -1.27 . . . . 25.0 107.57 177.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -111.83 -9.98 14.04 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.146 0.498 . . . . 25.0 111.141 178.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -85.05 26.72 5.32 Favored Glycine 0 C--O 1.221 -0.705 0 CA-C-N 116.223 -0.444 . . . . 25.0 113.279 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -84.42 -15.19 47.1 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.095 -1.446 . . . . 25.0 107.095 177.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 61.4 p -122.36 56.59 1.11 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.298 -0.865 . . . . 25.0 108.847 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -94.04 14.09 20.92 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.76 -0.654 . . . . 25.0 111.934 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 92.1 mt . . . . . 0 C--O 1.252 1.219 0 CA-C-O 117.792 -1.099 . . . . 25.0 110.983 -178.763 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.292 0 CA-C-O 118.51 -1.161 . . . . 25.0 110.925 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 36.5 m -53.5 117.45 3.1 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 117.941 0.871 . . . . 25.0 112.573 -176.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 47.6 m -101.07 82.62 2.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.677 -0.692 . . . . 25.0 112.831 -178.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -59.39 141.6 16.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 N-CA-C 109.045 -0.724 . . . . 25.0 109.045 174.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 28.6 m -81.68 165.39 21.06 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.779 -0.452 . . . . 25.0 109.779 177.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -64.47 -33.53 76.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 120.936 -1.102 . . . . 25.0 108.925 177.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -74.66 -24.22 58.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.498 -0.319 . . . . 25.0 110.661 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.43 -57.36 3.99 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.438 0.637 . . . . 25.0 110.092 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 24.8 ptp -57.59 -24.29 55.48 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.595 -0.691 . . . . 25.0 110.533 177.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.05 -56.17 21.7 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 110.221 -0.288 . . . . 25.0 110.221 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.92 -34.55 73.62 Favored 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 109.965 -0.383 . . . . 25.0 109.965 -177.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -59.73 -49.07 79.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.519 0.676 . . . . 25.0 110.131 176.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -67.4 -44.09 79.68 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 116.332 -0.395 . . . . 25.0 110.002 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.0 89.49 Favored 'General case' 0 C--O 1.209 -1.05 0 CA-C-O 119.385 -0.341 . . . . 25.0 111.324 -177.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 51.1 m -67.57 -44.36 78.39 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 118.406 0.548 . . . . 25.0 111.19 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -41.44 97.0 Favored 'General case' 0 C--O 1.206 -1.201 0 N-CA-C 108.591 -0.892 . . . . 25.0 108.591 176.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.73 -31.58 69.64 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 112.817 0.673 . . . . 25.0 112.817 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -68.13 -32.72 73.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.854 -0.529 . . . . 25.0 110.178 -178.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -91.1 -38.69 12.6 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 109.1 -0.704 . . . . 25.0 109.1 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -89.84 69.57 7.56 Favored 'General case' 0 CA--C 1.498 -1.019 0 CA-C-O 122.506 1.146 . . . . 25.0 109.657 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -78.74 -0.87 31.99 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.357 -1.292 . . . . 25.0 110.766 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -92.27 -11.52 35.03 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.657 -0.868 . . . . 25.0 108.657 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 54.02 38.14 28.31 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.243 1.017 . . . . 25.0 111.159 -178.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 33.8 t -70.63 -23.51 62.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 122.298 1.046 . . . . 25.0 109.541 177.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 88.52 0.61 81.91 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 109.663 -1.375 . . . . 25.0 109.663 -178.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 5.9 p -148.16 159.8 43.57 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 108.557 -0.905 . . . . 25.0 108.557 -176.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 766' ' ' LEU . . . . . 0.481 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 16.0 mt -141.76 172.72 12.3 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 108.401 -0.962 . . . . 25.0 108.401 177.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -78.04 172.7 55.21 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.268 -0.733 . . . . 25.0 111.268 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -66.88 -30.13 40.56 Favored 'Trans proline' 0 C--O 1.224 -0.201 0 CA-C-N 118.636 1.218 . . . . 25.0 112.512 -177.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -82.28 -36.99 26.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.169 0.509 . . . . 25.0 111.249 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.03 -54.33 39.89 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 121.193 0.52 . . . . 25.0 110.218 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 771' ' ' PHE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.4 OUTLIER -60.79 -30.75 70.23 Favored 'General case' 0 C--O 1.214 -0.804 0 N-CA-C 113.071 0.767 . . . . 25.0 113.071 174.865 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -64.16 -44.66 91.39 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 118.829 0.741 . . . . 25.0 109.633 177.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -74.17 -23.55 59.25 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.6 0.714 . . . . 25.0 111.843 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 42.1 t -63.35 -35.96 82.12 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.482 -0.933 . . . . 25.0 108.482 175.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 17.1 mt -65.73 -32.91 74.73 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 120.885 0.374 . . . . 25.0 110.845 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 65.3 mt -59.18 -33.55 50.97 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 N-CA-C 109.581 -0.526 . . . . 25.0 109.581 -177.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 16.4 m -65.2 -18.25 65.16 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.608 0.596 . . . . 25.0 112.608 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 22.8 mt -94.7 -18.05 21.65 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-O 121.725 0.774 . . . . 25.0 110.404 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 115.47 35.48 1.29 Allowed Glycine 0 C--N 1.329 0.171 0 CA-C-N 115.121 -0.945 . . . . 25.0 114.93 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -101.24 134.2 44.65 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.764 -0.828 . . . . 25.0 108.764 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -85.08 48.74 1.61 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.913 0.885 . . . . 25.0 110.86 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 41.5 mt -125.11 77.74 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 107.971 -1.122 . . . . 25.0 107.971 -174.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -136.47 68.59 0.52 Allowed Glycine 0 C--O 1.215 -1.047 0 N-CA-C 116.196 1.238 . . . . 25.0 116.196 -175.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 61.7 t30 67.4 16.12 9.98 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-O 122.15 0.976 . . . . 25.0 110.864 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -82.99 151.19 63.22 Favored Pre-proline 0 C--N 1.318 -0.791 0 N-CA-C 106.767 -1.568 . . . . 25.0 106.767 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.6 -20.46 30.82 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 115.361 -2.626 . . . . 25.0 112.734 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -79.9 -37.7 34.14 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.995 -1.113 . . . . 25.0 107.995 178.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -63.99 -43.91 96.71 Favored Glycine 0 C--O 1.206 -1.601 0 N-CA-C 108.704 -1.758 . . . . 25.0 108.704 178.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -60.34 -34.81 74.36 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.55 -0.971 . . . . 25.0 112.096 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.5 -36.8 84.98 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.762 -0.199 . . . . 25.0 111.35 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -88.76 -28.5 20.45 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.474 0.654 . . . . 25.0 110.956 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -66.87 -34.5 77.93 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.338 -0.986 . . . . 25.0 108.338 178.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -60.37 -29.1 68.71 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.464 0.649 . . . . 25.0 110.796 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -79.78 -39.79 30.14 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.025 -1.102 . . . . 25.0 108.025 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 58.4 mt -63.72 -49.95 79.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 114.831 -1.077 . . . . 25.0 110.584 -176.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 5.6 ptt? -60.73 -24.77 65.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.035 0.445 . . . . 25.0 111.99 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 50.8 m -78.6 -18.39 54.64 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.987 0.423 . . . . 25.0 111.453 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 63.8 mt -94.23 -49.56 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.718 0 CA-C-O 121.294 0.569 . . . . 25.0 110.29 -178.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 22.0 m -76.4 -11.94 14.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.724 -0.671 . . . . 25.0 112.731 -176.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -153.04 68.71 6.75 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.565 -0.743 . . . . 25.0 111.705 -177.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -74.43 -12.73 22.83 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 116.848 -1.635 . . . . 25.0 112.133 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.85 -5.49 59.23 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 120.97 0.414 . . . . 25.0 110.918 -177.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 57.76 45.1 19.32 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 121.929 0.871 . . . . 25.0 112.427 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 85.1 mt -70.13 -23.41 63.01 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.406 -1.27 . . . . 25.0 108.695 176.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 84.52 18.43 62.12 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.324 -0.853 . . . . 25.0 111.396 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 11.1 m -147.07 159.42 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 109.331 -0.618 . . . . 25.0 109.331 -175.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 16.8 t -131.71 135.23 59.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 123.265 0.626 . . . . 25.0 109.442 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 9.0 t -100.56 158.92 15.57 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.522 -0.547 . . . . 25.0 109.522 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -50.52 -45.92 56.94 Favored 'General case' 0 C--O 1.22 -0.447 0 CA-C-O 121.611 0.719 . . . . 25.0 111.421 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -22.11 62.12 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.037 -0.665 . . . . 25.0 110.34 -175.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -75.79 -40.09 55.76 Favored 'General case' 0 C--O 1.217 -0.653 0 C-N-CA 119.728 -0.789 . . . . 25.0 111.491 -177.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.439 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.0 OUTLIER -68.66 -31.87 71.31 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.114 -0.991 . . . . 25.0 110.012 177.43 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 18.1 mm -63.3 -27.92 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-O 121.428 0.633 . . . . 25.0 109.816 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -61.08 -42.51 98.63 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 121.523 -0.735 . . . . 25.0 110.817 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 815' ' ' PHE . . . . . 0.439 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.1 p90 -83.49 -23.44 32.16 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 119.345 -0.942 . . . . 25.0 112.267 179.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -63.4 -31.24 72.34 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 107.885 -1.154 . . . . 25.0 107.885 -178.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 16.7 t -63.1 -29.51 70.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.046 -0.524 . . . . 25.0 111.529 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -75.24 -31.42 60.82 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 120.923 0.392 . . . . 25.0 110.092 -178.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -76.78 -34.21 58.01 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.395 -0.82 . . . . 25.0 109.105 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 22.4 m -72.74 -17.86 61.56 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-O 121.932 0.873 . . . . 25.0 110.072 175.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . 56.11 38.4 29.85 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 114.886 -1.052 . . . . 25.0 112.628 178.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 48.42 44.89 20.67 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 119.134 3.013 . . . . 25.0 119.134 175.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 20.6 p -78.01 128.68 34.25 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.476 -0.784 . . . . 25.0 110.448 175.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -107.43 135.71 48.45 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.016 0.747 . . . . 25.0 113.016 -175.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 9.9 p -71.5 -21.93 61.86 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 114.243 1.201 . . . . 25.0 114.243 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -67.93 -29.23 68.24 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 120.687 0.28 . . . . 25.0 110.647 -178.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.56 -35.59 81.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.15 0.5 . . . . 25.0 111.124 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -60.37 -47.24 86.94 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.527 0.68 . . . . 25.0 112.797 -176.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 12.5 p -73.14 -33.83 43.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.92 -0.582 . . . . 25.0 109.58 -176.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -42.08 89.16 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 109.263 -0.643 . . . . 25.0 109.263 177.081 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.99 96.09 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.091 -0.337 . . . . 25.0 110.091 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 8.6 t -59.91 -47.52 85.42 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 121.011 -0.276 . . . . 25.0 110.929 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -62.14 -41.44 98.27 Favored 'General case' 0 C--O 1.202 -1.439 0 C-N-CA 119.962 -0.695 . . . . 25.0 109.368 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -57.33 -26.03 60.3 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.914 0.709 . . . . 25.0 112.914 -176.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 46.3 mt -74.82 -45.17 44.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.786 -0.45 . . . . 25.0 109.786 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.93 -26.03 27.49 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.757 0.789 . . . . 25.0 112.148 -176.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.647 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -85.07 -12.63 52.57 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.864 -0.607 . . . . 25.0 112.615 -176.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -56.54 -22.88 40.7 Favored Glycine 0 CA--C 1.526 0.729 0 O-C-N 123.817 0.698 . . . . 25.0 114.292 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.49 -20.94 64.63 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 120.807 0.337 . . . . 25.0 111.045 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -132.6 -156.94 0.78 Allowed 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 108.08 -1.081 . . . . 25.0 108.08 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -125.87 18.01 7.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.359 0.6 . . . . 25.0 109.643 174.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -160.15 177.57 10.55 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 106.94 -1.504 . . . . 25.0 106.94 -178.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . 0.647 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.3 OUTLIER -134.63 151.35 31.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 107.871 -1.159 . . . . 25.0 107.871 -177.552 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 67.3 p -98.59 159.96 14.6 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 119.822 -0.751 . . . . 25.0 109.822 173.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 71.7 mtm -57.85 -31.84 67.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.765 -1.107 . . . . 25.0 111.906 176.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -73.83 -40.73 63.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.526 0.679 . . . . 25.0 110.73 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -64.88 -47.37 78.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.969 -0.559 . . . . 25.0 111.27 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.9 pp -65.92 -26.4 67.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.399 -0.813 . . . . 25.0 111.077 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -74.85 -11.42 60.14 Favored 'General case' 0 C--O 1.221 -0.405 0 O-C-N 121.831 -0.543 . . . . 25.0 110.714 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.53 -26.89 61.92 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 109.115 -0.698 . . . . 25.0 109.115 176.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -86.19 -43.45 12.99 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.931 -0.577 . . . . 25.0 110.661 -176.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.69 79.66 71.43 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.619 -0.719 . . . . 25.0 109.322 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -59.7 -27.39 84.83 Favored 'Trans proline' 0 CA--C 1.551 1.327 0 N-CA-C 119.329 2.781 . . . . 25.0 119.329 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -75.71 -165.03 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 113.939 -3.574 . . . . 25.0 112.534 177.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -52.33 -16.2 0.8 Allowed 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.616 1.339 . . . . 25.0 114.616 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -54.07 -37.36 64.12 Favored 'General case' 0 C--O 1.214 -0.801 0 O-C-N 121.494 -0.754 . . . . 25.0 110.813 174.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.37 -38.67 92.07 Favored 'General case' 0 C--O 1.209 -1.056 0 N-CA-C 110.383 -0.228 . . . . 25.0 110.383 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -69.53 -37.03 76.94 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.325 0.583 . . . . 25.0 109.774 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -67.27 -32.78 74.02 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.306 -0.998 . . . . 25.0 108.306 176.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 60.3 m -72.79 -42.26 64.11 Favored 'General case' 0 C--O 1.207 -1.164 0 N-CA-C 109.878 -0.415 . . . . 25.0 109.878 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 20.0 mt -62.07 -41.82 92.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.588 -0.893 . . . . 25.0 108.588 178.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -62.75 -27.19 69.11 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 112.159 0.429 . . . . 25.0 112.159 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -99.22 -18.23 17.73 Favored 'General case' 0 C--O 1.209 -1.05 0 N-CA-C 112.877 0.695 . . . . 25.0 112.877 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 9.3 ttm -75.28 166.3 23.84 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 118.498 0.59 . . . . 25.0 111.264 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -96.65 145.71 30.05 Favored Pre-proline 0 C--N 1.321 -0.658 0 N-CA-C 107.557 -1.275 . . . . 25.0 107.557 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -75.7 148.94 33.26 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 120.655 0.904 . . . . 25.0 112.853 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -112.55 123.08 49.49 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 113.782 1.03 . . . . 25.0 113.782 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 70.5 p -126.1 43.75 3.01 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 109.303 -0.628 . . . . 25.0 109.303 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -87.53 -169.82 45.87 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 121.347 -0.454 . . . . 25.0 113.497 -177.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -71.61 -21.96 24.93 Favored 'Trans proline' 0 C--N 1.348 0.513 0 CA-C-N 118.757 1.279 . . . . 25.0 114.876 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -103.73 21.6 15.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 122.08 0.943 . . . . 25.0 109.075 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 25.2 p -73.5 149.94 41.93 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 122.606 1.193 . . . . 25.0 113.566 -172.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 17.0 m -132.39 161.92 60.17 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 103.319 -2.845 . . . . 25.0 103.319 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -57.28 -23.0 51.97 Favored 'Trans proline' 0 C--N 1.35 0.611 0 N-CA-C 115.945 1.479 . . . . 25.0 115.945 -177.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -109.03 33.95 5.84 Favored Glycine 0 C--O 1.222 -0.629 0 C-N-CA 121.532 -0.366 . . . . 25.0 113.618 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -91.31 138.49 31.55 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 113.135 0.791 . . . . 25.0 113.135 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 66.1 mt -135.88 138.6 42.62 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.434 -0.951 . . . . 25.0 108.434 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -89.05 101.56 14.21 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 106.6 -1.629 . . . . 25.0 106.6 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -71.56 -36.03 70.81 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 114.637 -1.165 . . . . 25.0 109.359 -177.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.46 -26.72 67.33 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.219 0.533 . . . . 25.0 110.096 -177.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 4.6 t -84.8 -16.0 42.95 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 -178.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -57.68 -38.38 75.05 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.838 0.351 . . . . 25.0 111.271 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.13 -18.68 3.97 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 114.434 1.272 . . . . 25.0 114.434 174.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 37.0 p -109.42 -14.17 14.47 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 114.605 1.335 . . . . 25.0 114.605 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -158.49 150.42 21.42 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.732 1.012 . . . . 25.0 113.732 -176.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -148.11 158.93 44.35 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 105.047 -2.205 . . . . 25.0 105.047 177.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -130.84 -23.48 2.52 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.044 0.757 . . . . 25.0 113.044 178.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -97.04 47.36 1.64 Allowed Glycine 0 C--O 1.222 -0.614 0 N-CA-C 114.13 0.412 . . . . 25.0 114.13 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -68.31 137.67 54.85 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 106.737 -1.579 . . . . 25.0 106.737 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 47.0 m -158.31 43.11 0.28 Allowed 'General case' 0 N--CA 1.471 0.591 0 O-C-N 122.011 -0.43 . . . . 25.0 111.55 -175.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -112.65 33.2 5.11 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.757 0.789 . . . . 25.0 109.558 -176.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 69.3 tp . . . . . 0 C--O 1.25 1.087 0 CA-C-N 114.621 -1.172 . . . . 25.0 109.863 -179.741 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.494 -1.245 0 N-CA-C 112.471 -0.251 . . . . 25.0 112.471 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 66.5 m -106.81 175.84 5.37 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 108.143 -1.058 . . . . 25.0 108.143 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 68.4 p -141.3 157.9 44.6 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 103.727 -2.694 . . . . 25.0 103.727 175.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 2.0 mt -62.27 130.49 26.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.695 0.76 . . . . 25.0 110.324 -177.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 78.3 p -87.12 172.21 10.12 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.16 -1.422 . . . . 25.0 107.16 174.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -65.74 -28.58 69.15 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.475 -0.89 . . . . 25.0 109.392 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -76.59 -31.96 57.8 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 115.355 -0.839 . . . . 25.0 111.35 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.52 -55.89 13.43 Favored 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 108.718 -0.845 . . . . 25.0 108.718 177.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 21.4 ptp -59.66 -23.95 63.49 Favored 'General case' 0 C--O 1.21 -1.015 0 C-N-CA 119.548 -0.861 . . . . 25.0 111.318 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.91 -55.69 23.81 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.939 -0.763 . . . . 25.0 108.939 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.01 -34.73 75.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.888 0.313 . . . . 25.0 110.694 -178.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -59.3 -50.23 74.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.053 -0.405 . . . . 25.0 110.666 175.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -66.71 -41.74 87.48 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 109.456 -0.572 . . . . 25.0 109.456 -178.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.87 -39.63 90.9 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 112.375 0.509 . . . . 25.0 112.375 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 48.8 m -66.95 -43.53 82.9 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 118.4 0.546 . . . . 25.0 109.958 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -41.88 97.4 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 108.569 -0.9 . . . . 25.0 108.569 177.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.0 -33.91 76.6 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.946 0.721 . . . . 25.0 112.946 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -69.4 -37.06 77.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.429 0.633 . . . . 25.0 110.266 -178.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -84.81 -35.92 22.0 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 108.472 -0.936 . . . . 25.0 108.472 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -94.33 70.84 3.77 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 122.616 1.198 . . . . 25.0 109.453 -178.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 20.8 mtm105 -80.69 1.05 31.73 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.302 -1.317 . . . . 25.0 110.361 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -94.89 -10.86 29.94 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.201 -1.407 . . . . 25.0 107.201 177.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 51.43 39.04 23.53 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.745 1.218 . . . . 25.0 112.353 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 15.7 m -71.99 -23.12 61.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.568 -0.742 . . . . 25.0 109.745 177.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 90.93 2.05 72.27 Favored Glycine 0 C--O 1.239 0.428 0 N-CA-C 109.136 -1.586 . . . . 25.0 109.136 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -150.65 156.18 40.83 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 123.702 0.801 . . . . 25.0 108.876 -175.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 766' ' ' LEU . . . . . 0.459 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 22.6 mt -137.36 174.55 10.48 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 107.4 -1.333 . . . . 25.0 107.4 176.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -84.5 -178.66 51.38 Favored Glycine 0 C--O 1.241 0.585 0 N-CA-C 111.331 -0.707 . . . . 25.0 111.331 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.4 -27.79 22.97 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 121.623 1.548 . . . . 25.0 114.096 -175.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -85.83 -37.74 18.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.052 0.453 . . . . 25.0 110.007 -178.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -66.78 -50.76 61.65 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 116.01 -0.541 . . . . 25.0 111.077 -178.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 771' ' ' PHE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -62.3 -32.53 73.28 Favored 'General case' 0 C--O 1.213 -0.852 0 C-N-CA 120.222 -0.591 . . . . 25.0 112.096 173.769 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -62.67 -44.62 95.8 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 118.682 0.674 . . . . 25.0 110.097 177.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -73.63 -24.88 60.08 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.073 0.463 . . . . 25.0 110.322 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 45.4 t -62.93 -35.3 79.63 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.537 -0.542 . . . . 25.0 109.537 178.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 14.5 mt -66.75 -31.22 71.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.691 -0.686 . . . . 25.0 111.964 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 776' ' ' ILE . . . . . 0.466 HD11 ' HA2' ' A' ' 783' ' ' GLY . 66.3 mt -59.42 -34.61 54.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 O-C-N 121.645 -0.659 . . . . 25.0 109.928 -177.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.41 -21.66 64.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.986 -0.552 . . . . 25.0 112.118 178.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 14.9 mt -94.16 -16.36 23.79 Favored 'General case' 0 C--O 1.215 -0.711 0 O-C-N 123.492 0.495 . . . . 25.0 110.906 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 117.6 30.65 1.8 Allowed Glycine 0 C--O 1.218 -0.845 0 CA-C-N 116.052 -0.522 . . . . 25.0 114.353 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -99.36 131.83 45.11 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 109.461 -0.57 . . . . 25.0 109.461 -177.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -83.97 46.9 1.24 Allowed 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 122.341 1.067 . . . . 25.0 110.588 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 29.6 mt -118.56 71.23 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 N-CA-C 107.498 -1.297 . . . . 25.0 107.498 -175.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . 0.466 ' HA2' HD11 ' A' ' 776' ' ' ILE . . . -97.88 34.98 4.81 Favored Glycine 0 C--O 1.222 -0.622 0 CA-C-N 114.639 -1.164 . . . . 25.0 114.993 -172.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 37.9 t30 64.63 15.1 9.48 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.317 1.047 . . . . 25.0 111.31 -176.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -75.34 160.99 78.62 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 105.303 -2.11 . . . . 25.0 105.303 176.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.52 -19.6 42.42 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 115.921 -2.253 . . . . 25.0 114.016 -174.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -78.83 -38.36 38.3 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 108.01 -1.108 . . . . 25.0 108.01 177.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -66.78 -39.37 93.55 Favored Glycine 0 C--O 1.207 -1.554 0 N-CA-C 109.023 -1.631 . . . . 25.0 109.023 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.51 -35.77 78.63 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 121.636 -0.92 . . . . 25.0 111.831 177.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.21 -38.56 91.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.742 0.306 . . . . 25.0 111.263 -179.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -87.13 -28.44 22.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.242 0.544 . . . . 25.0 110.729 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -31.61 72.47 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.402 -0.962 . . . . 25.0 108.402 177.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -60.33 -28.7 68.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.654 0.74 . . . . 25.0 110.753 177.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -77.6 -42.28 35.62 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 108.312 -0.995 . . . . 25.0 108.312 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.422 HG23 ' CE2' ' A' ' 815' ' ' PHE . 68.3 mt -64.15 -49.86 79.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 114.079 -1.419 . . . . 25.0 110.49 -174.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 16.3 ptt? -61.33 -25.15 66.95 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 116.579 -0.282 . . . . 25.0 111.616 -178.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 49.9 m -76.83 -19.61 57.33 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 116.561 -0.29 . . . . 25.0 111.539 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 77.8 mt -92.45 -49.34 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-O 121.767 0.794 . . . . 25.0 109.718 -178.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 18.8 m -76.18 -13.21 14.73 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 CA-C-N 115.175 -0.92 . . . . 25.0 112.888 -176.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -154.14 68.15 5.91 Favored Pre-proline 0 C--O 1.25 1.094 0 CA-C-N 115.306 -0.861 . . . . 25.0 112.125 -175.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -72.98 -12.89 26.24 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 117.624 -1.117 . . . . 25.0 111.75 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.17 -5.3 59.34 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 110.475 -0.194 . . . . 25.0 110.475 -178.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 57.92 42.16 23.43 Favored 'General case' 0 C--O 1.219 -0.509 0 O-C-N 124.597 1.185 . . . . 25.0 111.648 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 83.5 mt -69.17 -25.94 64.6 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.808 -1.087 . . . . 25.0 109.806 177.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 84.31 22.08 55.2 Favored Glycine 0 C--O 1.224 -0.514 0 N-CA-C 111.135 -0.786 . . . . 25.0 111.135 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 5.6 m -146.0 155.42 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 109.145 -0.687 . . . . 25.0 109.145 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 14.0 t -132.07 133.25 60.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.41 -0.814 . . . . 25.0 110.084 -177.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.38 160.66 14.2 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 109.027 -0.731 . . . . 25.0 109.027 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -52.26 -42.95 64.09 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.41 0.624 . . . . 25.0 110.862 177.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -23.23 60.3 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.722 -0.611 . . . . 25.0 109.565 -174.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -73.96 -42.47 60.47 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 119.602 -0.839 . . . . 25.0 111.549 -176.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.436 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.4 p90 -68.27 -30.31 69.3 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 119.198 -1.001 . . . . 25.0 109.919 179.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 16.3 mm -62.15 -27.22 42.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.393 0.616 . . . . 25.0 110.767 177.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -62.87 -41.11 99.26 Favored 'General case' 0 C--N 1.319 -0.74 0 O-C-N 121.749 -0.595 . . . . 25.0 110.768 -178.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 815' ' ' PHE . . . . . 0.436 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 5.8 p90 -84.52 -24.67 29.25 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 119.352 -0.939 . . . . 25.0 112.062 178.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.71 -29.67 70.83 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 108.788 -0.819 . . . . 25.0 108.788 -178.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 32.6 t -61.94 -21.91 65.18 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.274 -0.875 . . . . 25.0 112.364 177.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -90.99 -23.77 20.29 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-O 121.163 0.506 . . . . 25.0 111.945 -178.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -80.42 -36.46 33.67 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.226 0.536 . . . . 25.0 110.275 -178.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 30.8 p -90.25 13.2 15.91 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.656 0.741 . . . . 25.0 110.942 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -57.44 -28.67 63.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.499 -1.228 . . . . 25.0 112.468 -178.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -138.14 148.1 44.58 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.23 -0.655 . . . . 25.0 109.23 177.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 4.1 m -160.57 143.62 13.28 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 107.607 -1.257 . . . . 25.0 107.607 -177.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -84.29 152.37 24.19 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 107.735 -1.209 . . . . 25.0 107.735 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 21.7 p -64.58 -28.66 69.78 Favored 'General case' 0 C--O 1.239 0.535 0 N-CA-C 113.237 0.829 . . . . 25.0 113.237 -175.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -77.58 -30.69 52.64 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.81 -0.811 . . . . 25.0 108.81 178.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -71.42 -32.03 67.92 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.613 -0.435 . . . . 25.0 110.099 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -55.14 -47.24 75.35 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.378 0.609 . . . . 25.0 111.117 178.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 14.5 p -76.26 -33.2 23.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.569 0.699 . . . . 25.0 110.105 -176.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 2.6 ttm -65.56 -43.11 90.87 Favored 'General case' 0 C--O 1.238 0.45 0 O-C-N 121.463 -0.773 . . . . 25.0 110.306 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -61.96 -37.31 84.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.088 -0.505 . . . . 25.0 109.737 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 27.0 m -63.05 -43.39 98.78 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.896 0.379 . . . . 25.0 110.079 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -66.6 -35.48 80.31 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 121.449 -0.782 . . . . 25.0 110.797 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -61.12 -27.73 68.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.304 -0.407 . . . . 25.0 111.469 -177.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 53.0 mt -72.84 -46.03 54.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.139 -0.689 . . . . 25.0 109.139 -178.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.8 -23.56 31.4 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.698 -0.801 . . . . 25.0 111.239 -173.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.784 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -107.66 16.51 23.62 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 112.531 0.567 . . . . 25.0 112.531 -178.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -65.06 -25.04 70.69 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 108.668 -1.773 . . . . 25.0 108.668 173.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -69.37 -19.69 63.84 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.017 0.377 . . . . 25.0 112.017 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -131.47 -170.04 2.3 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-O 121.334 0.587 . . . . 25.0 109.677 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -111.09 14.52 21.88 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.956 -0.465 . . . . 25.0 110.857 174.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -160.13 178.19 9.92 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 115.976 -0.556 . . . . 25.0 109.563 -177.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . 0.784 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.4 OUTLIER -133.68 151.66 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 N-CA-C 108.921 -0.77 . . . . 25.0 108.921 -179.039 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 58.1 p -99.66 159.09 15.31 Favored 'General case' 0 C--N 1.314 -0.976 0 O-C-N 121.416 -0.803 . . . . 25.0 109.231 174.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 71.3 mtm -62.82 -29.95 71.11 Favored 'General case' 0 C--O 1.211 -0.968 0 CA-C-N 115.043 -0.981 . . . . 25.0 109.66 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -71.07 -41.97 70.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.892 0.377 . . . . 25.0 110.742 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -65.98 -50.84 62.9 Favored 'General case' 0 C--O 1.218 -0.583 0 O-C-N 122.018 -0.426 . . . . 25.0 111.024 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.6 pp -63.81 -22.02 66.71 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.155 -0.618 . . . . 25.0 112.444 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 67.4 mtt-85 -74.42 -15.14 60.92 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.307 -0.871 . . . . 25.0 112.187 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -78.24 -28.08 47.74 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 108.246 -1.02 . . . . 25.0 108.246 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -76.87 -46.4 24.71 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.453 -1.249 . . . . 25.0 110.617 -175.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.45 80.6 72.18 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 114.59 -1.186 . . . . 25.0 108.875 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -61.57 -23.59 76.73 Favored 'Trans proline' 0 CA--C 1.55 1.282 0 N-CA-C 119.196 2.729 . . . . 25.0 119.196 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -77.07 -167.29 0.45 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 C-N-CA 113.4 -3.933 . . . . 25.0 111.826 174.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -50.25 -17.12 0.4 Allowed 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 115.764 1.765 . . . . 25.0 115.764 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -54.54 -39.19 67.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.429 -0.794 . . . . 25.0 111.299 177.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -65.2 -38.05 89.23 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-O 120.803 0.335 . . . . 25.0 110.585 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -66.61 -39.58 88.42 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.669 0.747 . . . . 25.0 109.557 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -67.64 -31.29 71.21 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.492 -0.776 . . . . 25.0 109.467 177.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 56.0 m -71.2 -39.19 71.95 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 109.97 -0.382 . . . . 25.0 109.97 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 20.8 mt -63.63 -37.7 80.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.357 0.599 . . . . 25.0 110.459 178.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -69.08 -21.32 64.07 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.563 0.697 . . . . 25.0 110.612 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.35 -32.3 11.94 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 112.944 0.72 . . . . 25.0 112.944 -177.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 4.9 ttm -68.18 166.69 15.72 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-O 121.366 0.603 . . . . 25.0 111.782 -176.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -97.71 143.91 27.05 Favored Pre-proline 0 C--N 1.314 -0.947 0 N-CA-C 107.347 -1.353 . . . . 25.0 107.347 -178.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -73.76 148.01 40.68 Favored 'Trans proline' 0 C--O 1.232 0.183 0 CA-C-O 121.866 0.694 . . . . 25.0 112.028 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -108.53 131.7 54.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.416 -0.811 . . . . 25.0 111.535 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 5.2 t -136.69 41.27 2.54 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 122.128 0.966 . . . . 25.0 108.829 -178.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -90.94 -167.92 41.68 Favored Glycine 0 N--CA 1.461 0.311 0 CA-C-N 115.646 -0.706 . . . . 25.0 113.886 -177.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -68.6 -28.2 31.72 Favored 'Trans proline' 0 C--O 1.21 -0.899 0 CA-C-N 118.53 1.165 . . . . 25.0 113.936 -177.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -96.7 19.63 12.15 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 123.115 0.566 . . . . 25.0 109.55 -175.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 81.8 p -72.96 149.09 43.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.596 1.189 . . . . 25.0 113.837 -171.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 15.7 m -137.79 162.65 53.21 Favored Pre-proline 0 C--N 1.32 -0.703 0 N-CA-C 105.442 -2.058 . . . . 25.0 105.442 -178.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -60.44 0.98 0.58 Allowed 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 122.268 1.979 . . . . 25.0 116.975 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -137.03 35.49 2.08 Favored Glycine 0 C--O 1.223 -0.577 0 N-CA-C 111.506 -0.637 . . . . 25.0 111.506 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -93.99 138.08 32.49 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.335 0.588 . . . . 25.0 112.346 -177.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 87.1 mt -137.94 139.91 40.01 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 107.513 -1.291 . . . . 25.0 107.513 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -91.12 103.93 16.56 Favored 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 107.326 -1.361 . . . . 25.0 107.326 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -73.86 -31.58 63.23 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 115.438 -0.801 . . . . 25.0 110.076 -177.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 3.8 ttm -68.74 -28.8 67.14 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.362 1.077 . . . . 25.0 109.311 -178.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.3 t -82.97 -20.71 34.68 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.776 -1.102 . . . . 25.0 112.874 -176.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -56.52 -36.8 69.61 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.334 0.494 . . . . 25.0 112.334 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 32.9 t -55.09 -18.3 5.26 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 114.146 1.165 . . . . 25.0 114.146 174.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 30.8 p -100.98 -25.44 14.07 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 114.013 1.116 . . . . 25.0 114.013 -177.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -163.22 160.14 23.65 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.041 0.448 . . . . 25.0 112.093 -177.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -139.99 152.1 46.02 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 104.608 -2.368 . . . . 25.0 104.608 176.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -113.24 -16.35 12.55 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.593 0.96 . . . . 25.0 113.593 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -93.51 39.46 2.94 Favored Glycine 0 C--O 1.229 -0.169 0 C-N-CA 121.486 -0.388 . . . . 25.0 112.894 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -71.21 150.53 45.23 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.762 -1.199 . . . . 25.0 107.762 178.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 20.0 m -91.74 -24.12 19.55 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 111.797 0.295 . . . . 25.0 111.797 -177.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 50.47 47.28 24.3 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-O 122.479 1.133 . . . . 25.0 109.172 -176.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 45.1 tp . . . . . 0 C--O 1.243 0.725 0 CA-C-N 114.005 -1.452 . . . . 25.0 111.948 -177.444 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 CA-C-O 118.856 -0.969 . . . . 25.0 111.217 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 3.4 m -63.47 141.87 58.61 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 119.138 1.469 . . . . 25.0 110.533 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 15.8 m -81.14 27.71 0.39 Allowed 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.537 0.684 . . . . 25.0 112.371 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 3.2 mt -71.27 128.32 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 CA-C-O 122.421 1.105 . . . . 25.0 111.762 -178.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 84.4 p -90.28 173.58 8.06 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.387 -1.278 . . . . 25.0 107.568 174.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -64.5 -33.66 76.4 Favored 'General case' 0 C--N 1.316 -0.859 0 O-C-N 121.017 -1.052 . . . . 25.0 110.641 177.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -76.86 -25.92 53.68 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 119.508 -0.282 . . . . 25.0 110.688 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.79 -58.05 5.84 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 118.782 0.719 . . . . 25.0 110.391 176.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 21.6 ptp -57.89 -26.82 62.67 Favored 'General case' 0 C--O 1.218 -0.596 0 C-N-CA 119.965 -0.694 . . . . 25.0 111.251 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -53.78 49.88 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.751 -0.659 . . . . 25.0 109.914 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -73.79 -30.07 62.54 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 122.414 -0.179 . . . . 25.0 110.676 -176.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -61.31 -49.62 76.28 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.149 -0.685 . . . . 25.0 109.149 174.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 3.6 mtp-105 -65.12 -42.69 93.67 Favored 'General case' 0 C--O 1.217 -0.63 0 N-CA-C 109.743 -0.466 . . . . 25.0 109.743 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -67.7 -38.69 84.0 Favored 'General case' 0 C--O 1.213 -0.824 0 N-CA-C 113.045 0.757 . . . . 25.0 113.045 -177.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 21.6 t -70.44 -42.61 71.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 119.107 0.867 . . . . 25.0 109.814 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -41.48 91.19 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 107.752 -1.203 . . . . 25.0 107.752 177.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.03 -31.49 69.16 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.747 0.647 . . . . 25.0 112.747 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -70.35 -35.84 73.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.52 -0.738 . . . . 25.0 110.411 -178.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -83.03 -37.79 23.45 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 108.583 -0.895 . . . . 25.0 108.583 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . 0.445 ' HA ' HD21 ' A' ' 766' ' ' LEU . 55.1 t0 -91.42 70.69 6.0 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 122.584 1.183 . . . . 25.0 109.022 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 69.9 mtm-85 -75.38 -5.43 44.85 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.475 -1.239 . . . . 25.0 110.644 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -95.54 -1.17 51.1 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.087 -1.079 . . . . 25.0 108.087 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 23.6 p80 42.34 36.96 0.82 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.58 1.552 . . . . 25.0 114.723 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 30.6 t -70.45 -25.06 63.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.722 0.772 . . . . 25.0 109.981 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 91.8 1.53 70.58 Favored Glycine 0 C--O 1.237 0.294 0 N-CA-C 109.028 -1.629 . . . . 25.0 109.028 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -148.3 153.84 39.2 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 123.372 0.669 . . . . 25.0 109.694 -176.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 766' ' ' LEU . . . . . 0.48 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 19.8 mt -139.21 172.94 12.1 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 108.231 -1.026 . . . . 25.0 108.231 177.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.58 173.95 54.85 Favored Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 110.207 -1.157 . . . . 25.0 110.207 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -67.61 -32.07 31.74 Favored 'Trans proline' 0 C--N 1.347 0.486 0 CA-C-N 117.482 0.641 . . . . 25.0 113.099 -176.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -79.1 -36.51 40.59 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 121.9 -0.5 . . . . 25.0 110.354 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -66.77 -52.14 47.65 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.241 -0.436 . . . . 25.0 110.422 -178.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 771' ' ' PHE . . . . . 0.48 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -60.72 -31.04 70.35 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 113.412 0.893 . . . . 25.0 113.412 173.865 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -64.5 -45.48 87.07 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 120.291 -0.563 . . . . 25.0 109.656 176.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.37 -25.64 62.46 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 120.865 0.364 . . . . 25.0 111.468 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 41.2 t -60.7 -37.23 80.98 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 109.225 -0.658 . . . . 25.0 109.225 177.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 13.0 mt -67.15 -32.99 74.48 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 115.728 -0.669 . . . . 25.0 111.777 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.1 mt -58.17 -33.99 48.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 O-C-N 121.781 -0.575 . . . . 25.0 110.675 -176.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 90.9 p -62.19 -21.2 64.91 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.177 0.436 . . . . 25.0 112.177 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 13.8 mt -93.71 -14.79 25.92 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-O 121.168 0.509 . . . . 25.0 111.503 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 115.61 30.29 2.24 Favored Glycine 0 C--O 1.22 -0.732 0 N-CA-C 114.468 0.547 . . . . 25.0 114.468 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -97.0 130.69 44.29 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 109.437 -0.579 . . . . 25.0 109.437 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -84.93 49.86 1.82 Allowed 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 122.268 1.032 . . . . 25.0 109.559 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 44.2 mt -126.21 74.93 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 107.515 -1.291 . . . . 25.0 107.515 -175.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -131.49 57.4 0.72 Allowed Glycine 0 N--CA 1.463 0.456 0 CA-C-N 116.185 -0.461 . . . . 25.0 113.945 -175.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 63.3 t30 69.0 16.18 8.76 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.535 1.134 . . . . 25.0 111.449 -178.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -76.09 152.93 84.46 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 105.415 -2.068 . . . . 25.0 105.415 175.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -69.57 -19.79 36.57 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 114.295 -3.337 . . . . 25.0 113.453 -176.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -81.74 -38.0 26.39 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 108.473 -0.936 . . . . 25.0 108.473 178.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -65.57 -42.39 95.63 Favored Glycine 0 C--O 1.201 -1.962 0 N-CA-C 110.862 -0.895 . . . . 25.0 110.862 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -61.29 -38.14 85.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.51 -0.994 . . . . 25.0 111.54 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -62.28 -36.78 83.13 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 116.627 -0.26 . . . . 25.0 110.309 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -89.41 -24.08 22.0 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 108.98 -0.748 . . . . 25.0 108.98 -178.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -72.13 -32.89 67.35 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 108.572 -0.899 . . . . 25.0 108.572 177.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -60.5 -30.79 69.94 Favored 'General case' 0 CA--C 1.561 1.394 0 O-C-N 123.211 0.319 . . . . 25.0 111.473 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.49 -40.2 30.3 Favored 'General case' 0 C--O 1.208 -1.096 0 N-CA-C 106.396 -1.705 . . . . 25.0 106.396 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.406 HG23 ' CE2' ' A' ' 815' ' ' PHE . 47.3 mt -59.61 -49.78 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.733 0 CA-C-N 115.269 -0.878 . . . . 25.0 109.568 -175.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 4.6 ptm -63.59 -27.36 69.19 Favored 'General case' 0 C--O 1.216 -0.667 0 C-N-CA 120.825 -0.35 . . . . 25.0 111.118 -177.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 42.1 m -75.97 -17.38 59.74 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 116.707 -0.224 . . . . 25.0 111.19 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 73.1 mt -96.23 -46.32 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-O 121.488 0.661 . . . . 25.0 110.346 -177.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.417 ' HB ' HG13 ' A' ' 807' ' ' VAL . 27.5 m -75.78 -15.81 15.45 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 CA-C-N 115.742 -0.663 . . . . 25.0 112.146 -177.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -150.63 65.2 6.91 Favored Pre-proline 0 CA--C 1.55 0.968 0 CA-C-O 121.817 0.817 . . . . 25.0 113.161 -176.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -71.91 -6.82 19.89 Favored 'Trans proline' 0 CA--C 1.534 0.494 0 C-N-CA 118.021 -0.852 . . . . 25.0 111.964 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.22 -11.42 43.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 25.0 110.844 -178.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? 57.76 50.01 11.33 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 124.295 0.997 . . . . 25.0 110.877 -176.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 86.8 mt -72.52 -26.24 61.69 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.227 -1.397 . . . . 25.0 107.227 174.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 86.69 17.83 59.36 Favored Glycine 0 C--O 1.223 -0.559 0 N-CA-C 110.322 -1.111 . . . . 25.0 110.322 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 11.1 m -148.91 156.98 7.36 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 CA-C-O 121.484 0.659 . . . . 25.0 109.674 -175.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 807' ' ' VAL . . . . . 0.417 HG13 ' HB ' ' A' ' 799' ' ' VAL . 16.7 t -129.64 132.38 66.19 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.528 0 CA-C-N 115.528 -0.76 . . . . 25.0 110.106 -177.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -97.42 158.57 15.4 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -50.69 -44.09 57.77 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-O 121.203 0.525 . . . . 25.0 110.648 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -24.1 61.61 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.354 -0.538 . . . . 25.0 109.93 -174.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -74.4 -41.39 61.02 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.145 -0.622 . . . . 25.0 111.666 -177.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.411 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.0 OUTLIER -68.92 -28.87 67.06 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 118.845 -1.142 . . . . 25.0 109.359 178.348 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 13.1 mm -64.76 -27.18 41.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 O-C-N 121.703 -0.623 . . . . 25.0 109.953 177.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -63.96 -46.71 83.46 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.719 -0.792 . . . . 25.0 110.071 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 815' ' ' PHE . . . . . 0.411 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.4 p90 -75.72 -24.21 56.16 Favored 'General case' 0 CA--C 1.501 -0.939 0 C-N-CA 118.899 -1.12 . . . . 25.0 109.92 -178.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.68 -34.68 78.39 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 106.073 -1.825 . . . . 25.0 106.073 -179.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 12.9 t -69.5 -22.46 63.6 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.692 0.627 . . . . 25.0 112.692 177.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -85.58 -35.03 21.3 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 109.381 -0.599 . . . . 25.0 109.381 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -70.98 -22.62 62.16 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 108.604 -0.887 . . . . 25.0 108.604 176.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 49.7 m -69.2 -28.87 66.76 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.096 -0.705 . . . . 25.0 109.096 174.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . 59.27 14.32 3.58 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.88 1.437 . . . . 25.0 114.88 -178.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -98.87 32.76 2.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.684 0.755 . . . . 25.0 109.75 178.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 25.5 p -139.83 37.33 1.98 Allowed 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.355 -0.841 . . . . 25.0 111.819 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -62.73 155.83 25.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 122.103 0.954 . . . . 25.0 111.737 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 30.8 p -63.64 -18.72 64.23 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.757 -0.656 . . . . 25.0 111.799 -177.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -69.0 -26.42 65.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.185 -0.322 . . . . 25.0 110.666 177.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -62.12 -31.23 71.68 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 118.294 0.497 . . . . 25.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -59.74 -47.43 85.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.482 0.658 . . . . 25.0 111.657 -178.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 14.8 p -79.47 -31.62 14.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 108.409 -0.96 . . . . 25.0 108.409 -176.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -38.17 90.09 Favored 'General case' 0 C--N 1.318 -0.8 0 O-C-N 121.61 -0.681 . . . . 25.0 110.776 178.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -61.31 -36.87 81.3 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.202 -0.453 . . . . 25.0 110.847 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 60.1 p -64.04 -42.3 97.1 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.178 -0.609 . . . . 25.0 111.476 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -68.82 -37.44 79.2 Favored 'General case' 0 C--O 1.202 -1.412 0 C-N-CA 119.653 -0.819 . . . . 25.0 108.899 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -57.58 -25.82 60.55 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 112.566 0.58 . . . . 25.0 112.566 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 74.1 mt -73.66 -46.67 47.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.8 -26.11 24.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 122.19 0.995 . . . . 25.0 112.076 -174.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.466 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -83.64 -13.51 54.08 Favored 'General case' 0 C--O 1.207 -1.182 0 O-C-N 121.796 -0.565 . . . . 25.0 112.235 -178.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -58.31 -17.89 33.6 Favored Glycine 0 CA--C 1.523 0.579 0 O-C-N 123.621 0.576 . . . . 25.0 114.044 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -71.57 -18.44 62.24 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 117.024 0.412 . . . . 25.0 110.318 176.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -137.21 -157.0 0.74 Allowed 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 108.698 -0.853 . . . . 25.0 108.698 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -119.63 12.05 12.17 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.704 -0.623 . . . . 25.0 110.289 174.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -156.28 176.85 12.14 Favored 'General case' 0 C--O 1.245 0.864 0 N-CA-C 109.353 -0.61 . . . . 25.0 109.353 -176.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . 0.466 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.6 OUTLIER -129.43 147.08 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.776 0 N-CA-C 109.166 -0.679 . . . . 25.0 109.166 -177.458 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 65.4 p -100.13 159.91 14.74 Favored 'General case' 0 C--N 1.31 -1.141 0 O-C-N 120.973 -1.079 . . . . 25.0 109.682 172.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 73.6 mtm -60.18 -35.22 74.87 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-N 114.979 -1.01 . . . . 25.0 108.892 177.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -66.74 -43.04 85.24 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-O 121.831 0.824 . . . . 25.0 110.999 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -66.89 -47.34 72.13 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 112.689 0.626 . . . . 25.0 112.689 -178.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.7 pp -68.44 -25.0 64.8 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 120.344 -0.542 . . . . 25.0 111.193 -178.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -68.23 -14.23 62.83 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 122.004 -0.435 . . . . 25.0 111.413 177.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -78.9 -29.19 44.17 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.399 -0.593 . . . . 25.0 109.399 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -80.28 -42.53 22.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.125 0.964 . . . . 25.0 110.211 -175.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.85 81.43 70.32 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.263 -0.881 . . . . 25.0 109.04 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -63.43 -23.29 71.36 Favored 'Trans proline' 0 CA--C 1.549 1.249 0 N-CA-C 119.317 2.776 . . . . 25.0 119.317 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -78.43 -167.79 0.54 Allowed 'Trans proline' 0 C--N 1.367 1.504 0 C-N-CA 113.582 -3.812 . . . . 25.0 111.52 175.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -53.46 -12.78 0.49 Allowed 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.903 1.446 . . . . 25.0 114.903 -178.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -52.81 -38.78 61.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 118.239 0.472 . . . . 25.0 110.13 174.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -66.1 -41.72 90.24 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 121.484 -0.086 . . . . 25.0 111.055 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -64.89 -41.91 95.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.721 0.772 . . . . 25.0 110.023 -177.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -66.45 -30.4 70.75 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.62 -0.718 . . . . 25.0 109.324 177.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 37.2 m -72.06 -43.65 64.57 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 110.386 -0.228 . . . . 25.0 110.386 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 21.8 mt -62.89 -35.58 71.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 108.77 -0.826 . . . . 25.0 108.77 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -67.48 -8.03 30.3 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.516 0.932 . . . . 25.0 113.516 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -121.31 -32.84 3.79 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.379 0.881 . . . . 25.0 113.379 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 2.9 ttm -61.75 140.45 58.22 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-O 120.912 0.387 . . . . 25.0 111.836 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -67.92 142.31 95.34 Favored Pre-proline 0 C--N 1.318 -0.795 0 CA-C-N 115.888 -0.596 . . . . 25.0 110.042 -174.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -73.58 145.25 37.11 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 CA-C-O 121.903 0.71 . . . . 25.0 111.972 177.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -102.84 124.55 48.58 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.186 -0.915 . . . . 25.0 113.283 -178.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 12.4 m -130.52 73.33 1.53 Allowed 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 107.006 -1.479 . . . . 25.0 107.006 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -127.53 -170.53 12.86 Favored Glycine 0 C--O 1.223 -0.549 0 CA-C-N 115.402 -0.817 . . . . 25.0 113.482 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -68.99 -28.79 28.56 Favored 'Trans proline' 0 C--N 1.349 0.555 0 N-CA-C 116.256 1.598 . . . . 25.0 116.256 -176.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -97.71 19.89 12.87 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.028 0.442 . . . . 25.0 109.819 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 59.9 p -70.2 150.65 46.24 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 115.941 1.83 . . . . 25.0 115.941 -171.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 7.8 m -135.59 164.5 43.08 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 103.921 -2.622 . . . . 25.0 103.921 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.5 3.03 2.88 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 N-CA-C 115.789 1.419 . . . . 25.0 115.789 -178.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -128.74 35.92 2.54 Favored Glycine 0 CA--C 1.502 -0.732 0 N-CA-C 110.319 -1.112 . . . . 25.0 110.319 176.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -95.54 138.66 32.9 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.317 0.579 . . . . 25.0 112.268 -177.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 51.3 mt -134.64 141.38 46.57 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 107.538 -1.282 . . . . 25.0 107.538 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -92.27 102.1 14.6 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.114 -1.069 . . . . 25.0 108.114 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -73.1 -36.64 66.82 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-N 115.269 -0.878 . . . . 25.0 108.851 -177.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 33.2 ttp -64.86 -22.78 67.06 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.683 0.754 . . . . 25.0 110.673 -177.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 6.3 t -88.25 -27.3 21.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.171 -0.922 . . . . 25.0 112.424 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -54.03 -37.95 64.64 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.83 0.678 . . . . 25.0 112.83 -177.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -25.52 31.35 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 114.545 1.313 . . . . 25.0 114.545 178.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 12.9 t -114.69 -3.88 12.81 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.168 0.803 . . . . 25.0 113.168 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -154.01 134.7 13.64 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.378 0.51 . . . . 25.0 112.378 -177.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -144.59 151.94 39.78 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 106.71 -1.589 . . . . 25.0 106.71 176.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -122.26 -3.0 8.99 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 113.872 1.064 . . . . 25.0 113.872 -178.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -85.26 12.05 59.34 Favored Glycine 0 C--O 1.224 -0.49 0 C-N-CA 121.221 -0.514 . . . . 25.0 113.736 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.9 143.16 34.49 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 102.595 -3.113 . . . . 25.0 102.595 179.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 32.1 p -155.61 163.11 40.37 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.863 -0.421 . . . . 25.0 109.863 -178.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -87.69 0.22 56.0 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.195 -0.457 . . . . 25.0 111.041 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 2.2 mt . . . . . 0 C--O 1.247 0.963 0 C-N-CA 123.355 0.662 . . . . 25.0 109.967 -176.725 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.849 0 N-CA-C 111.731 -0.548 . . . . 25.0 111.731 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 51.1 p -60.2 135.17 57.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.375 0.607 . . . . 25.0 111.266 -178.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 28.5 p -124.21 36.63 4.58 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.607 -0.724 . . . . 25.0 109.303 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 3.3 mt -53.38 125.53 7.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 N-CA-C 114.292 1.219 . . . . 25.0 114.292 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 47.2 m -88.35 169.44 11.82 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 113.713 -1.585 . . . . 25.0 107.855 174.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -62.56 -34.29 76.65 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 121.044 -1.035 . . . . 25.0 110.099 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -74.0 -23.7 59.48 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 116.345 -0.388 . . . . 25.0 110.046 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.53 -55.44 6.32 Favored 'General case' 0 CA--C 1.494 -1.207 0 O-C-N 121.724 -0.61 . . . . 25.0 109.99 178.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 23.6 ptp -58.98 -25.54 63.67 Favored 'General case' 0 C--O 1.214 -0.815 0 C-N-CA 119.615 -0.834 . . . . 25.0 110.063 178.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.03 -55.83 25.22 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -71.75 -31.13 66.33 Favored 'General case' 0 C--O 1.217 -0.631 0 C-N-CA 120.878 -0.329 . . . . 25.0 110.55 -177.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.24 -45.57 93.99 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.298 0.571 . . . . 25.0 109.734 175.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 7.6 mtp-105 -71.65 -39.93 70.02 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 116.398 -0.364 . . . . 25.0 110.212 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.67 -38.17 76.98 Favored 'General case' 0 C--O 1.209 -1.072 0 N-CA-C 112.702 0.63 . . . . 25.0 112.702 -177.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 50.9 p -70.37 -41.59 72.89 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.474 0.579 . . . . 25.0 109.594 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -43.63 92.46 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 107.908 -1.145 . . . . 25.0 107.908 175.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.77 -30.37 68.95 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.605 0.965 . . . . 25.0 113.605 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -71.34 -33.91 70.03 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 122.163 -0.335 . . . . 25.0 110.584 -178.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -89.0 -36.47 15.81 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 108.172 -1.047 . . . . 25.0 108.172 178.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -91.47 68.87 5.81 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-O 122.404 1.097 . . . . 25.0 109.269 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -79.35 -3.79 47.9 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.775 -1.102 . . . . 25.0 110.067 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -91.69 -11.0 38.18 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.358 -0.979 . . . . 25.0 108.358 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 52.25 39.64 27.44 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.783 1.233 . . . . 25.0 112.968 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 2.5 m -71.48 -18.98 62.27 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.728 -0.841 . . . . 25.0 108.728 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 83.27 5.0 89.31 Favored Glycine 0 CA--C 1.508 -0.358 0 N-CA-C 109.224 -1.55 . . . . 25.0 109.224 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -151.17 158.43 43.96 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.775 -1.195 . . . . 25.0 107.775 -176.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 766' ' ' LEU . . . . . 0.478 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 13.9 mt -140.47 171.49 14.06 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.37 -0.974 . . . . 25.0 108.37 177.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.02 173.76 55.34 Favored Glycine 0 N--CA 1.453 -0.2 0 N-CA-C 111.301 -0.72 . . . . 25.0 111.301 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -66.3 -31.53 43.51 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 121.044 1.163 . . . . 25.0 113.308 -177.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -84.15 -34.39 24.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.155 -0.341 . . . . 25.0 110.389 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -63.73 -54.64 32.17 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.734 0.302 . . . . 25.0 110.352 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 771' ' ' PHE . . . . . 0.478 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -61.68 -29.5 70.12 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 113.182 0.808 . . . . 25.0 113.182 175.264 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -66.04 -45.33 81.81 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.785 -0.572 . . . . 25.0 109.834 177.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.53 -24.89 62.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.288 0.566 . . . . 25.0 110.177 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 45.6 t -62.44 -37.44 85.87 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 14.5 mt -65.58 -31.36 72.35 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 115.727 -0.67 . . . . 25.0 112.15 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 776' ' ' ILE . . . . . 0.452 HD11 ' HA2' ' A' ' 783' ' ' GLY . 67.8 mt -59.05 -34.39 53.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 O-C-N 121.527 -0.733 . . . . 25.0 109.407 -177.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 1.5 m -61.52 -20.0 62.73 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.569 0.581 . . . . 25.0 112.569 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 16.6 mt -95.92 -16.72 21.57 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 115.889 -0.596 . . . . 25.0 111.306 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 115.45 36.99 1.13 Allowed Glycine 0 C--O 1.221 -0.717 0 CA-C-N 115.843 -0.617 . . . . 25.0 114.305 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -105.59 131.1 53.39 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.431 -0.581 . . . . 25.0 109.431 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -83.91 46.37 1.18 Allowed 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.445 0.641 . . . . 25.0 110.445 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 47.1 mt -119.14 76.43 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 106.954 -1.499 . . . . 25.0 106.954 -175.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . 0.452 ' HA2' HD11 ' A' ' 776' ' ' ILE . . . -123.06 51.83 0.79 Allowed Glycine 0 N--CA 1.465 0.577 0 CA-C-N 115.607 -0.724 . . . . 25.0 113.547 -175.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 66.25 13.47 9.19 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.472 1.109 . . . . 25.0 111.208 -176.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -68.18 153.16 95.86 Favored Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 105.427 -2.064 . . . . 25.0 105.427 175.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.47 -19.84 42.46 Favored 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 114.689 -3.074 . . . . 25.0 113.584 -177.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -81.76 -37.56 27.02 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.154 -1.054 . . . . 25.0 108.154 178.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -66.79 -42.25 93.16 Favored Glycine 0 C--O 1.21 -1.355 0 N-CA-C 110.285 -1.126 . . . . 25.0 110.285 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.56 -36.47 78.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 121.685 -0.891 . . . . 25.0 111.325 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -62.39 -39.33 92.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.702 -0.227 . . . . 25.0 111.119 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -86.64 -22.35 26.21 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-O 121.572 0.701 . . . . 25.0 110.594 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.8 -34.21 66.76 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 108.934 -0.765 . . . . 25.0 108.934 177.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -58.83 -33.05 69.97 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.318 0.58 . . . . 25.0 112.292 178.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -83.48 -29.03 28.32 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 119.836 -0.746 . . . . 25.0 109.34 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 44.1 mt -69.08 -46.41 78.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 C-N-CA 122.244 0.218 . . . . 25.0 110.745 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 8.8 ptt? -62.35 -23.52 66.83 Favored 'General case' 0 C--O 1.216 -0.694 0 C-N-CA 120.615 -0.434 . . . . 25.0 112.044 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 52.5 m -75.85 -18.1 59.57 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 111.668 0.247 . . . . 25.0 111.668 178.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 82.0 mt -94.4 -48.71 12.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.619 0.723 . . . . 25.0 110.616 -177.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.449 ' HB ' HG13 ' A' ' 807' ' ' VAL . 22.7 m -74.83 -14.44 15.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 N-CA-C 113.107 0.78 . . . . 25.0 113.107 -176.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -153.18 68.42 6.58 Favored Pre-proline 0 CA--C 1.543 0.677 0 CA-C-N 115.17 -0.923 . . . . 25.0 110.638 -175.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -71.15 -14.02 31.48 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 117.914 -0.924 . . . . 25.0 111.867 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.92 -9.31 58.22 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 116.207 -0.451 . . . . 25.0 110.472 -178.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 25.7 mmt85 56.91 48.24 16.26 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.373 1.045 . . . . 25.0 110.718 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 87.3 mt -71.52 -25.72 62.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 113.81 -1.541 . . . . 25.0 109.036 175.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 86.9 19.98 54.7 Favored Glycine 0 C--N 1.32 -0.324 0 N-CA-C 110.39 -1.084 . . . . 25.0 110.39 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 7.0 m -145.93 153.77 13.33 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.429 0 CA-C-O 121.383 0.611 . . . . 25.0 109.357 -177.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 807' ' ' VAL . . . . . 0.449 HG13 ' HB ' ' A' ' 799' ' ' VAL . 17.6 t -131.48 132.32 62.61 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 CA-C-N 115.575 -0.738 . . . . 25.0 110.452 -177.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.21 158.64 15.35 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -49.57 -44.53 46.87 Favored 'General case' 0 C--O 1.213 -0.861 0 C-N-CA 122.837 0.455 . . . . 25.0 110.71 178.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -24.12 62.27 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.195 -0.602 . . . . 25.0 110.489 -174.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -75.98 -40.15 54.39 Favored 'General case' 0 C--O 1.217 -0.634 0 C-N-CA 120.258 -0.577 . . . . 25.0 111.481 -177.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.402 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.0 OUTLIER -69.83 -28.05 65.37 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 118.646 -1.222 . . . . 25.0 110.445 177.708 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 14.7 mm -65.33 -27.88 43.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.215 0.531 . . . . 25.0 109.788 176.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -61.2 -47.84 84.29 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 121.786 -0.571 . . . . 25.0 110.307 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 815' ' ' PHE . . . . . 0.402 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.8 p90 -78.29 -20.6 51.21 Favored 'General case' 0 C--O 1.207 -1.147 0 C-N-CA 119.566 -0.854 . . . . 25.0 111.233 -179.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -59.13 -34.82 72.51 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.026 0.83 . . . . 25.0 109.565 -176.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 9.1 t -72.98 -23.88 60.7 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 121.001 0.429 . . . . 25.0 111.458 177.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -84.91 -28.97 25.56 Favored 'General case' 0 C--O 1.219 -0.544 0 C-N-CA 123.009 0.524 . . . . 25.0 111.348 -178.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -78.9 -32.95 45.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 118.142 0.428 . . . . 25.0 110.921 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 15.2 t -81.17 -2.33 48.13 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 106.968 -1.493 . . . . 25.0 106.968 172.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . 64.03 142.0 0.02 OUTLIER 'General case' 0 C--O 1.237 0.443 0 N-CA-C 116.702 2.112 . . . . 25.0 116.702 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -152.09 149.57 28.97 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.653 -1.158 . . . . 25.0 108.234 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 12.5 t -163.43 157.52 19.96 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.444 -0.576 . . . . 25.0 109.444 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -68.58 150.13 48.38 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 107.955 -1.128 . . . . 25.0 107.955 176.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.93 150.14 46.8 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.327 -1.36 . . . . 25.0 107.327 178.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -63.18 -26.66 68.91 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 110.04 -0.355 . . . . 25.0 110.04 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -58.73 -29.69 66.91 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.67 0.619 . . . . 25.0 112.67 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -64.75 -49.29 71.37 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.349 0.595 . . . . 25.0 110.235 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 14.0 p -76.73 -31.47 19.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 107.704 -1.221 . . . . 25.0 107.704 -177.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -36.81 84.93 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 121.728 -0.608 . . . . 25.0 110.511 178.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.51 -38.31 80.61 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.968 -0.382 . . . . 25.0 109.968 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 55.8 p -68.31 -38.47 81.61 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.493 0.553 . . . . 25.0 112.493 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -68.43 -34.06 75.33 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 109.362 -0.607 . . . . 25.0 109.362 -178.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -65.45 -20.09 66.21 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.684 -0.689 . . . . 25.0 112.761 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 83.8 mt -77.78 -42.44 28.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 107.963 -1.125 . . . . 25.0 107.963 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.68 -29.33 25.72 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.257 0.551 . . . . 25.0 112.155 -175.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.614 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -106.42 15.7 25.66 Favored 'General case' 0 C--O 1.206 -1.217 0 N-CA-C 112.213 0.449 . . . . 25.0 112.213 -177.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -61.25 -21.94 60.26 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 109.877 -1.289 . . . . 25.0 109.877 172.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -74.97 -17.21 60.58 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.087 0.402 . . . . 25.0 112.087 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -130.3 -176.64 4.02 Favored 'General case' 0 C--O 1.213 -0.833 0 CA-C-N 118.58 0.627 . . . . 25.0 110.096 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -108.04 13.07 26.37 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.125 -0.694 . . . . 25.0 109.125 174.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . 0.401 ' HB3' ' CE1' ' A' ' 867' ' ' TYR . 6.5 p90 -157.67 176.51 12.52 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.32 -0.622 . . . . 25.0 109.32 -176.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . 0.614 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.7 OUTLIER -135.92 151.15 28.87 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 N-CA-C 108.431 -0.952 . . . . 25.0 108.431 -177.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 71.1 p -100.7 158.46 15.93 Favored 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 119.482 -0.887 . . . . 25.0 109.364 174.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 69.9 mtm -59.91 -30.09 68.8 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 114.498 -1.228 . . . . 25.0 109.562 176.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -71.53 -43.82 65.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.5 0.667 . . . . 25.0 110.797 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -65.07 -46.75 79.87 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 116.133 -0.485 . . . . 25.0 111.35 -177.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.3 pp -67.31 -24.73 65.78 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.729 -0.607 . . . . 25.0 111.272 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -74.31 -12.32 60.51 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.738 -0.601 . . . . 25.0 111.328 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 17.3 ptt180 -77.43 -26.14 51.31 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 108.456 -0.942 . . . . 25.0 108.456 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -82.95 -42.42 17.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.962 0.886 . . . . 25.0 110.31 -176.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.13 78.66 75.78 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-N 115.213 -0.903 . . . . 25.0 109.867 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -54.33 -33.84 77.93 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 N-CA-C 118.974 2.644 . . . . 25.0 118.974 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -77.17 -164.81 0.29 Allowed 'Trans proline' 0 C--N 1.365 1.41 0 C-N-CA 115.096 -2.803 . . . . 25.0 112.838 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -53.38 -15.82 1.16 Allowed 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 114.359 1.244 . . . . 25.0 114.359 -177.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -53.03 -38.7 62.62 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 122.08 -0.388 . . . . 25.0 110.716 174.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.4 -41.12 96.83 Favored 'General case' 0 C--O 1.218 -0.555 0 O-C-N 122.112 -0.367 . . . . 25.0 110.267 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -68.2 -38.76 82.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.246 0.546 . . . . 25.0 109.985 -176.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -65.96 -32.02 73.26 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.295 -0.631 . . . . 25.0 109.295 176.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 54.4 m -72.07 -41.16 67.7 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 110.077 -0.342 . . . . 25.0 110.077 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 19.1 mt -64.24 -37.69 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 N-CA-C 108.807 -0.812 . . . . 25.0 108.807 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -71.15 1.12 6.33 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 112.469 0.544 . . . . 25.0 112.469 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -121.3 -35.33 3.3 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 112.51 0.559 . . . . 25.0 112.51 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 15.3 ttm -69.02 150.67 47.39 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 113.753 1.02 . . . . 25.0 113.753 -175.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -78.15 143.74 65.93 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.446 -0.797 . . . . 25.0 109.118 -175.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -76.23 152.78 35.5 Favored 'Trans proline' 0 C--O 1.233 0.266 0 CA-C-O 121.834 0.681 . . . . 25.0 112.702 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . 0.401 ' CE1' ' HB3' ' A' ' 842' ' ' TYR . 68.4 t80 -116.94 126.44 52.94 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.523 -0.762 . . . . 25.0 112.403 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 62.4 p -129.69 39.68 3.68 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.516 0.674 . . . . 25.0 110.182 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -85.21 -168.13 44.26 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 114.6 0.6 . . . . 25.0 114.6 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -69.82 -26.13 27.61 Favored 'Trans proline' 0 C--N 1.348 0.544 0 CA-C-N 118.866 1.333 . . . . 25.0 114.911 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -99.05 19.54 14.99 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.175 -0.676 . . . . 25.0 109.175 -178.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 83.0 p -75.16 153.85 37.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 122.852 1.31 . . . . 25.0 114.441 -171.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 3.3 m -138.7 164.21 41.37 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 103.07 -2.937 . . . . 25.0 103.07 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -66.96 -10.43 28.46 Favored 'Trans proline' 0 N--CA 1.475 0.421 0 C-N-CA 117.259 -1.361 . . . . 25.0 114.977 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -110.91 29.3 9.0 Favored Glycine 0 C--O 1.227 -0.33 0 N-CA-C 110.782 -0.927 . . . . 25.0 110.782 177.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -93.12 139.56 30.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.294 0.569 . . . . 25.0 111.49 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 66.7 mt -136.09 140.44 43.74 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 106.539 -1.652 . . . . 25.0 106.539 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -90.29 103.72 16.37 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 107.511 -1.292 . . . . 25.0 107.511 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -74.49 -36.36 63.25 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-N 115.29 -0.868 . . . . 25.0 109.169 -177.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 3.2 mtp -62.49 -26.58 68.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.469 0.652 . . . . 25.0 109.615 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.5 t -87.36 -19.09 28.64 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.953 -1.022 . . . . 25.0 113.422 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -57.88 -40.71 80.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.348 0.594 . . . . 25.0 111.93 -178.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 41.2 t -56.99 -27.22 61.33 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.276 -0.42 . . . . 25.0 112.064 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 49.2 p -105.82 -11.34 16.28 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.548 0.944 . . . . 25.0 113.548 -176.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -153.32 118.88 5.26 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 122.571 0.349 . . . . 25.0 111.405 -176.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -144.48 146.22 32.31 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 106.761 -1.57 . . . . 25.0 106.761 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -131.8 -0.81 3.83 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 115.281 1.585 . . . . 25.0 115.281 -175.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -92.78 5.52 76.54 Favored Glycine 0 CA--C 1.511 -0.217 0 C-N-CA 120.272 -0.966 . . . . 25.0 114.529 -177.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -78.68 151.17 32.35 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.958 -0.756 . . . . 25.0 108.958 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 40.1 t -150.95 152.14 33.14 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 106.6 -1.63 . . . . 25.0 106.6 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -88.79 5.08 45.26 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 109.156 -0.683 . . . . 25.0 109.156 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 53.2 tp . . . . . 0 C--O 1.246 0.876 0 C-N-CA 123.162 0.585 . . . . 25.0 109.616 -177.776 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.736 0 CA-C-O 118.321 -1.266 . . . . 25.0 111.47 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 80.1 p -63.96 -25.48 68.16 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 116.653 2.094 . . . . 25.0 116.653 -175.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 8.8 t 54.41 37.86 28.47 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 121.61 0.719 . . . . 25.0 111.833 -178.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -58.47 135.34 22.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 CA-C-N 115.325 -0.852 . . . . 25.0 111.235 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 5.7 m -82.87 166.96 18.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.164 -0.926 . . . . 25.0 108.64 176.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -65.04 -34.32 78.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 120.492 -1.38 . . . . 25.0 109.819 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -73.85 -21.6 60.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.379 -0.373 . . . . 25.0 111.12 178.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.8 -56.66 4.7 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 121.521 0.676 . . . . 25.0 110.043 178.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 23.0 ptp -57.75 -25.32 60.27 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 119.989 -0.684 . . . . 25.0 110.524 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.3 -51.63 62.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.252 -0.431 . . . . 25.0 111.042 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -73.21 -32.16 64.6 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.441 -0.577 . . . . 25.0 109.441 -177.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -60.77 -44.05 97.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.963 0.411 . . . . 25.0 110.256 174.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -69.46 -42.31 75.06 Favored 'General case' 0 CA--C 1.511 -0.526 0 O-C-N 121.874 -0.516 . . . . 25.0 109.945 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.43 -38.7 90.67 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-O 119.136 -0.459 . . . . 25.0 111.916 -177.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 40.9 m -66.78 -44.75 80.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 118.332 0.514 . . . . 25.0 110.661 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -42.41 98.62 Favored 'General case' 0 C--O 1.209 -1.07 0 N-CA-C 108.759 -0.83 . . . . 25.0 108.759 177.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.52 -32.11 71.83 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.029 0.751 . . . . 25.0 113.029 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -67.76 -37.08 81.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.103 -0.373 . . . . 25.0 110.181 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -86.66 -37.96 17.5 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 109.422 -0.584 . . . . 25.0 109.422 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . 0.419 ' HA ' HD21 ' A' ' 766' ' ' LEU . 51.6 t0 -89.46 68.5 7.85 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-O 122.447 1.118 . . . . 25.0 109.069 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -74.36 -7.87 54.32 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.376 -1.284 . . . . 25.0 110.212 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -89.45 -11.48 42.93 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.759 -0.83 . . . . 25.0 108.759 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 52.93 37.88 25.58 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.863 1.265 . . . . 25.0 113.602 -178.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 26.4 m -71.16 -21.58 62.16 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.101 0.477 . . . . 25.0 110.046 177.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 91.95 -0.21 72.52 Favored Glycine 0 C--O 1.241 0.549 0 N-CA-C 109.726 -1.35 . . . . 25.0 109.726 -178.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 11.6 p -148.9 156.04 41.74 Favored 'General case' 0 CA--C 1.508 -0.647 0 C-N-CA 123.789 0.835 . . . . 25.0 110.013 -175.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 766' ' ' LEU . . . . . 0.466 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 21.0 mt -136.93 175.27 9.77 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 108.386 -0.968 . . . . 25.0 108.386 177.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -81.33 174.33 54.43 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 110.325 -1.11 . . . . 25.0 110.325 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -66.78 -35.84 26.23 Favored 'Trans proline' 0 C--N 1.343 0.269 0 CA-C-N 118.384 1.092 . . . . 25.0 113.261 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -77.5 -35.11 53.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.936 0.398 . . . . 25.0 111.146 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 82.1 mm-40 -63.6 -55.62 22.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.978 0.418 . . . . 25.0 110.552 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 771' ' ' PHE . . . . . 0.466 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.4 OUTLIER -60.16 -28.4 67.89 Favored 'General case' 0 C--O 1.198 -1.619 0 N-CA-C 113.559 0.948 . . . . 25.0 113.559 175.041 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 8.8 ttpt -63.53 -48.79 76.08 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.74 0.781 . . . . 25.0 108.94 176.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.78 -24.3 61.72 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.385 0.612 . . . . 25.0 110.866 -178.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 41.9 t -63.31 -32.42 73.83 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.705 -0.48 . . . . 25.0 109.705 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 16.7 mt -69.2 -34.09 74.35 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 121.37 0.605 . . . . 25.0 109.903 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 56.3 mt -59.38 -32.87 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-N 116.191 -0.459 . . . . 25.0 110.078 -178.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 20.0 t -62.46 -20.08 64.18 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.276 0.473 . . . . 25.0 112.276 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 20.5 mt -95.55 -20.97 18.57 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.431 -0.349 . . . . 25.0 110.476 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 118.54 35.91 0.96 Allowed Glycine 0 CA--C 1.52 0.394 0 CA-C-N 115.842 -0.617 . . . . 25.0 114.281 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -101.96 133.03 47.4 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.322 -0.992 . . . . 25.0 108.322 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -84.07 44.13 0.99 Allowed 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 121.534 0.683 . . . . 25.0 109.595 175.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 64.8 mt -116.79 95.77 4.01 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.505 0 N-CA-C 108.418 -0.956 . . . . 25.0 108.418 -176.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -140.96 -125.76 2.16 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 109.815 -1.314 . . . . 25.0 109.815 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -89.2 13.73 12.58 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 122.565 1.174 . . . . 25.0 108.42 177.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.38 146.59 86.68 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 114.572 -1.195 . . . . 25.0 107.844 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.54 -19.95 24.15 Favored 'Trans proline' 0 C--O 1.222 -0.297 0 C-N-CA 115.891 -2.273 . . . . 25.0 112.876 -175.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -83.63 -35.59 24.49 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 107.757 -1.201 . . . . 25.0 107.757 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -62.51 -51.4 56.5 Favored Glycine 0 C--O 1.211 -1.337 0 N-CA-C 109.172 -1.571 . . . . 25.0 109.172 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.93 -34.31 71.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 118.301 1.05 . . . . 25.0 112.949 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -64.58 -33.48 76.01 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.699 0.285 . . . . 25.0 111.537 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -93.21 -25.19 17.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.447 0.641 . . . . 25.0 111.306 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -68.14 -35.19 77.69 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 108.387 -0.968 . . . . 25.0 108.387 177.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -58.75 -33.91 70.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.934 -0.575 . . . . 25.0 111.367 179.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 25.0 ptt-85 -86.48 -27.99 23.73 Favored 'General case' 0 C--O 1.219 -0.5 0 C-N-CA 119.736 -0.786 . . . . 25.0 110.331 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 38.2 mt -65.69 -47.42 86.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 122.221 0.208 . . . . 25.0 110.699 178.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 18.8 ptt? -60.84 -27.2 67.91 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-O 120.93 0.395 . . . . 25.0 111.463 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 66.2 m -72.99 -20.36 61.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 122.145 -0.347 . . . . 25.0 111.733 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 84.4 mt -92.0 -47.27 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.504 0 CA-C-O 121.453 0.644 . . . . 25.0 110.24 -177.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.432 ' HB ' HG13 ' A' ' 807' ' ' VAL . 31.9 m -76.18 -14.03 14.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.703 -0.68 . . . . 25.0 112.045 -176.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -151.99 69.74 7.7 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-O 121.902 0.858 . . . . 25.0 110.599 -176.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -72.74 -8.58 22.65 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 118.188 -0.742 . . . . 25.0 112.528 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -92.42 -6.34 50.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.141 -0.482 . . . . 25.0 110.737 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? 55.08 49.25 17.9 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-O 122.284 1.04 . . . . 25.0 111.675 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 83.9 mt -73.64 -24.8 60.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 113.923 -1.49 . . . . 25.0 108.65 175.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 87.81 19.36 54.14 Favored Glycine 0 N--CA 1.454 -0.144 0 CA-C-N 115.442 -0.799 . . . . 25.0 111.787 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 13.6 m -145.05 154.97 13.94 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.4 0 N-CA-C 109.619 -0.511 . . . . 25.0 109.619 -176.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 807' ' ' VAL . . . . . 0.432 HG13 ' HB ' ' A' ' 799' ' ' VAL . 14.5 t -131.06 132.17 63.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.711 -0.677 . . . . 25.0 109.524 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.29 161.44 13.8 Favored 'General case' 0 CA--C 1.506 -0.719 0 N-CA-C 109.45 -0.574 . . . . 25.0 109.45 179.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -52.27 -42.74 63.94 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-O 121.608 0.718 . . . . 25.0 110.414 178.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -22.99 59.11 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 121.624 -0.672 . . . . 25.0 109.512 -174.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -74.97 -41.68 59.1 Favored 'General case' 0 C--O 1.216 -0.709 0 C-N-CA 120.049 -0.66 . . . . 25.0 111.048 -177.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.45 -30.16 68.97 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 119.013 -1.075 . . . . 25.0 110.704 178.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 20.1 mm -62.01 -26.89 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.207 0.527 . . . . 25.0 109.654 176.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.6 -49.38 77.74 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 122.04 -0.412 . . . . 25.0 110.171 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -79.95 -22.59 42.46 Favored 'General case' 0 CA--C 1.504 -0.789 0 C-N-CA 119.485 -0.886 . . . . 25.0 111.861 -178.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -30.83 71.86 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 106.804 -1.554 . . . . 25.0 106.804 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 24.4 t -73.84 -31.44 63.2 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 121.468 -0.77 . . . . 25.0 110.926 174.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -74.88 -20.14 59.85 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 113.579 0.955 . . . . 25.0 113.579 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -93.28 -19.62 21.21 Favored 'General case' 0 CA--C 1.496 -1.112 0 C-N-CA 120.489 -0.484 . . . . 25.0 110.729 174.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 41.6 m -62.0 -45.01 95.51 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 100.854 -3.758 . . . . 25.0 100.854 164.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . 168.39 145.68 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 126.74 2.016 . . . . 25.0 113.984 160.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -100.09 34.07 2.43 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.639 1.176 . . . . 25.0 110.504 -174.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 9.6 t -155.17 163.12 40.65 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 106.414 -1.699 . . . . 25.0 106.414 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -81.25 153.37 27.17 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.247 -0.649 . . . . 25.0 109.247 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -116.32 114.65 24.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.596 0.713 . . . . 25.0 111.681 -176.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -64.88 -18.97 65.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.656 -0.702 . . . . 25.0 111.645 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -61.99 -30.18 70.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.153 0.501 . . . . 25.0 111.381 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -60.78 -47.69 85.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.502 0.668 . . . . 25.0 110.11 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 10.0 p -78.98 -29.35 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.635 -0.506 . . . . 25.0 109.635 -178.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.57 -40.25 90.98 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 121.763 -0.586 . . . . 25.0 110.117 176.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.32 91.83 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.034 -0.53 . . . . 25.0 110.069 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 61.4 p -65.04 -40.09 94.29 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 120.722 -0.391 . . . . 25.0 111.32 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -64.75 -46.7 81.09 Favored 'General case' 0 C--O 1.207 -1.17 0 C-N-CA 120.094 -0.643 . . . . 25.0 109.399 177.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -55.16 -30.09 59.15 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.53 0.937 . . . . 25.0 113.53 -175.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 78.1 mt -70.17 -43.98 78.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.91 -28.12 26.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.548 0.69 . . . . 25.0 111.622 -177.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.521 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -77.49 -13.34 59.94 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 113.385 0.883 . . . . 25.0 113.385 -175.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -57.41 -14.15 12.57 Favored Glycine 0 C--O 1.222 -0.598 0 O-C-N 123.686 0.616 . . . . 25.0 114.019 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -63.08 -31.81 73.04 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.348 0.659 . . . . 25.0 110.167 174.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -139.63 -155.96 0.64 Allowed 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 -176.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -115.43 13.49 16.52 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 121.961 -0.462 . . . . 25.0 110.429 174.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -156.01 179.22 9.42 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.203 -0.666 . . . . 25.0 109.203 -177.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . 0.521 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.2 OUTLIER -131.04 148.64 33.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.765 -0.828 . . . . 25.0 108.765 -177.681 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 34.1 p -99.04 158.12 15.88 Favored 'General case' 0 C--N 1.316 -0.862 0 O-C-N 121.653 -0.654 . . . . 25.0 109.831 173.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 70.5 mtm -59.67 -35.13 73.83 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.16 -0.927 . . . . 25.0 109.321 176.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -66.56 -42.26 87.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.362 0.601 . . . . 25.0 111.454 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -66.86 -49.14 66.62 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 116.18 -0.464 . . . . 25.0 111.696 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.12 -26.6 66.77 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 119.811 -0.756 . . . . 25.0 110.814 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 16.4 ttt180 -74.69 -12.85 60.53 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.869 -0.519 . . . . 25.0 111.788 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . 0.425 ' HG2' ' HG2' ' A' ' 851' ' ' GLU . 16.7 ptt180 -76.51 -28.85 56.55 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 107.962 -1.125 . . . . 25.0 107.962 178.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . 0.425 ' HG2' ' HG2' ' A' ' 850' ' ' ARG . 45.0 mm-40 -81.47 -41.33 21.94 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.256 -0.884 . . . . 25.0 110.63 -176.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.88 77.87 74.29 Favored Pre-proline 0 CA--C 1.539 0.531 0 CA-C-N 115.72 -0.673 . . . . 25.0 109.672 178.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -53.45 -34.14 70.35 Favored 'Trans proline' 0 CA--C 1.554 1.496 0 N-CA-C 118.672 2.528 . . . . 25.0 118.672 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.6 -166.89 0.38 Allowed 'Trans proline' 0 C--N 1.364 1.38 0 C-N-CA 115.247 -2.702 . . . . 25.0 112.946 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -52.2 -16.93 0.92 Allowed 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 115.14 1.533 . . . . 25.0 115.14 -177.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -51.97 -39.81 59.91 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 122.194 -0.316 . . . . 25.0 111.227 175.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.27 -41.29 96.99 Favored 'General case' 0 C--O 1.212 -0.883 0 C-N-CA 121.12 -0.232 . . . . 25.0 111.02 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -66.44 -41.37 89.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.442 0.639 . . . . 25.0 109.674 -177.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -65.67 -31.96 73.26 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.149 -0.685 . . . . 25.0 109.149 177.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 46.7 m -71.95 -42.15 66.94 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 110.008 -0.367 . . . . 25.0 110.008 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 20.7 mt -61.94 -42.03 93.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.528 -0.545 . . . . 25.0 109.528 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.5 -26.52 67.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.082 0.468 . . . . 25.0 111.474 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -93.03 -18.42 22.69 Favored 'General case' 0 C--O 1.211 -0.963 0 N-CA-C 112.572 0.582 . . . . 25.0 112.572 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 3.6 ttm -74.27 -178.52 3.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.242 0.544 . . . . 25.0 111.91 -176.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -113.48 144.61 31.65 Favored Pre-proline 0 N--CA 1.446 -0.64 0 N-CA-C 106.248 -1.76 . . . . 25.0 106.248 178.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -73.99 154.6 47.83 Favored 'Trans proline' 0 C--O 1.223 -0.253 0 CA-C-N 118.68 0.564 . . . . 25.0 112.114 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -113.09 132.32 55.47 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.125 0.787 . . . . 25.0 113.125 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 2.8 p -131.85 122.41 25.67 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 105.081 -2.192 . . . . 25.0 105.081 172.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -173.9 -173.23 39.88 Favored Glycine 0 CA--C 1.507 -0.42 0 C-N-CA 120.558 -0.83 . . . . 25.0 111.398 -176.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -69.86 -28.27 24.96 Favored 'Trans proline' 0 N--CA 1.473 0.267 0 CA-C-N 119.065 1.432 . . . . 25.0 114.744 -177.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -99.92 16.03 25.18 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.366 0.603 . . . . 25.0 109.895 -176.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 84.8 p -72.55 153.14 41.46 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 114.77 1.396 . . . . 25.0 114.77 -173.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 6.0 m -137.86 165.03 36.78 Favored Pre-proline 0 C--N 1.319 -0.748 0 N-CA-C 103.578 -2.749 . . . . 25.0 103.578 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.54 -9.38 26.04 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 115.883 -2.278 . . . . 25.0 114.351 -177.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -110.29 31.18 7.61 Favored Glycine 0 C--O 1.23 -0.151 0 CA-C-O 121.346 0.414 . . . . 25.0 112.234 177.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -92.98 137.37 32.43 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.603 0.594 . . . . 25.0 112.603 -176.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 61.1 mt -135.18 139.27 44.43 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.379 -0.971 . . . . 25.0 108.379 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -88.96 105.2 17.62 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 107.048 -1.464 . . . . 25.0 107.048 178.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -73.77 -33.34 64.21 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 114.872 -1.058 . . . . 25.0 108.742 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 4.1 ttm -68.34 -18.26 64.45 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.232 -0.895 . . . . 25.0 110.958 -177.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 4.7 t -94.61 -21.51 18.77 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.782 0.66 . . . . 25.0 112.782 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -58.14 -33.81 69.59 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.746 0.784 . . . . 25.0 110.974 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.66 -30.86 5.92 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 114.851 1.426 . . . . 25.0 114.851 177.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 8.8 t -109.5 -6.66 15.34 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.815 1.413 . . . . 25.0 114.815 -178.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -154.81 150.88 27.99 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.516 1.302 . . . . 25.0 114.516 -176.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -148.79 154.07 39.04 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 106.59 -1.633 . . . . 25.0 106.59 178.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -136.75 1.23 2.52 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.363 1.245 . . . . 25.0 114.363 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -55.08 -18.7 12.99 Favored Glycine 0 N--CA 1.461 0.361 0 N-CA-C 122.298 3.679 . . . . 25.0 122.298 -169.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -155.03 160.48 41.08 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 119.314 1.557 . . . . 25.0 109.726 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 66.2 m -147.07 162.01 39.67 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.503 -1.295 . . . . 25.0 107.503 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -75.93 -36.83 59.24 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.484 0.49 . . . . 25.0 111.508 -178.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 44.5 tp . . . . . 0 C--O 1.256 1.418 0 CA-C-O 115.902 -1.999 . . . . 25.0 107.026 -179.896 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.084 0 N-CA-C 111.276 -0.73 . . . . 25.0 111.276 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 7.1 m -61.59 136.26 57.95 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 113.83 1.048 . . . . 25.0 113.83 -176.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 29.2 t -129.96 88.07 2.61 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 104.656 -2.35 . . . . 25.0 104.656 175.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 1.6 mt -68.01 129.85 32.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 122.117 0.96 . . . . 25.0 110.776 -177.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 35.1 t -82.92 165.41 19.76 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.237 -1.394 . . . . 25.0 107.237 176.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -60.05 -34.67 73.72 Favored 'General case' 0 C--N 1.315 -0.918 0 O-C-N 121.325 -0.86 . . . . 25.0 109.966 175.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -75.42 -24.62 57.14 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.851 -0.613 . . . . 25.0 110.916 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.37 -56.76 5.89 Favored 'General case' 0 CA--C 1.504 -0.814 0 N-CA-C 109.28 -0.637 . . . . 25.0 109.28 179.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 18.9 ptp -58.13 -25.11 61.0 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 119.505 -0.878 . . . . 25.0 111.471 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -56.45 20.32 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 -179.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -71.26 -33.38 69.75 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.535 0.207 . . . . 25.0 110.569 -177.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -59.45 -51.64 69.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.29 0.567 . . . . 25.0 110.313 176.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -67.57 -40.63 84.89 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 122.038 -0.414 . . . . 25.0 110.534 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -67.03 -38.11 85.33 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 112.82 0.674 . . . . 25.0 112.82 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 16.9 t -68.82 -43.97 74.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 118.648 0.658 . . . . 25.0 110.105 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -40.98 85.9 Favored 'General case' 0 C--O 1.208 -1.106 0 N-CA-C 108.626 -0.879 . . . . 25.0 108.626 177.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.87 -32.63 71.1 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.447 0.642 . . . . 25.0 112.689 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -68.76 -32.42 72.16 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.503 -0.748 . . . . 25.0 111.19 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -89.87 -37.91 14.1 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 108.365 -0.976 . . . . 25.0 108.365 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . 0.403 ' HA ' HD21 ' A' ' 766' ' ' LEU . 55.0 t0 -88.28 69.91 9.14 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 122.185 0.993 . . . . 25.0 108.669 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 37.7 mtp85 -78.35 -6.87 56.39 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.687 -1.142 . . . . 25.0 110.47 -178.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -94.75 1.74 55.47 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 108.205 -1.035 . . . . 25.0 108.205 178.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 16.3 p80 39.99 41.19 0.85 Allowed 'General case' 0 C--O 1.239 0.51 0 C-N-CA 125.336 1.455 . . . . 25.0 114.207 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.26 -22.8 61.17 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.909 0.385 . . . . 25.0 110.17 179.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 92.44 1.1 69.22 Favored Glycine 0 C--O 1.243 0.669 0 N-CA-C 109.397 -1.481 . . . . 25.0 109.397 -178.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -149.94 157.37 43.1 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 123.729 0.811 . . . . 25.0 108.866 -174.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 766' ' ' LEU . . . . . 0.477 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 14.2 mt -139.66 171.04 14.81 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.614 -0.884 . . . . 25.0 108.614 177.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -78.49 173.7 55.2 Favored Glycine 0 N--CA 1.45 -0.388 0 N-CA-C 111.497 -0.641 . . . . 25.0 111.497 -178.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -67.08 -30.49 38.5 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 121.134 1.223 . . . . 25.0 113.275 -177.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -81.52 -38.0 26.94 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.009 0.433 . . . . 25.0 110.558 178.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -62.69 -55.27 28.4 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.991 -0.55 . . . . 25.0 110.433 -178.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 771' ' ' PHE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.2 OUTLIER -61.98 -27.59 68.96 Favored 'General case' 0 C--O 1.21 -0.988 0 N-CA-C 113.247 0.832 . . . . 25.0 113.247 175.839 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -67.07 -44.66 79.52 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 118.606 0.639 . . . . 25.0 109.603 177.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.63 -25.91 62.35 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.006 0.432 . . . . 25.0 110.623 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 40.8 t -61.46 -36.14 79.56 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.139 -0.689 . . . . 25.0 109.139 177.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 16.6 mt -65.81 -32.02 73.31 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 115.81 -0.632 . . . . 25.0 112.082 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 68.8 mt -57.87 -35.19 50.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 O-C-N 121.879 -0.513 . . . . 25.0 110.493 -176.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 93.2 p -65.59 -18.99 65.73 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.382 0.512 . . . . 25.0 112.382 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 14.1 mt -94.14 -13.38 26.8 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 123.415 0.447 . . . . 25.0 110.766 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 113.7 37.23 1.31 Allowed Glycine 0 C--O 1.214 -1.126 0 N-CA-C 113.835 0.294 . . . . 25.0 113.835 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -108.61 128.92 55.25 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.008 -1.108 . . . . 25.0 108.008 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -84.51 51.33 2.08 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.487 0.66 . . . . 25.0 110.31 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 41.7 mt -120.19 80.86 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.507 0.67 . . . . 25.0 109.234 -175.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -125.21 51.41 0.83 Allowed Glycine 0 C--O 1.221 -0.676 0 N-CA-C 114.524 0.57 . . . . 25.0 114.524 -174.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 66.54 12.13 8.54 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.619 1.168 . . . . 25.0 112.529 -177.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -66.71 155.14 90.09 Favored Pre-proline 0 C--N 1.324 -0.539 0 N-CA-C 105.542 -2.021 . . . . 25.0 105.542 175.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -68.23 -20.7 42.89 Favored 'Trans proline' 0 N--CA 1.471 0.171 0 C-N-CA 113.916 -3.589 . . . . 25.0 112.803 -177.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -80.78 -36.75 31.4 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 108.315 -0.994 . . . . 25.0 108.315 177.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -65.1 -42.88 96.34 Favored Glycine 0 C--O 1.205 -1.716 0 N-CA-C 109.615 -1.394 . . . . 25.0 109.615 178.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.53 -36.96 79.68 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.75 -0.853 . . . . 25.0 111.498 177.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.05 -38.3 90.65 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.648 0.261 . . . . 25.0 111.177 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -90.31 -17.0 28.14 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-O 121.479 0.657 . . . . 25.0 110.821 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -75.36 -33.52 61.07 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 108.042 -1.096 . . . . 25.0 108.042 175.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.12 -33.69 71.17 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.098 0.407 . . . . 25.0 112.098 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 23.3 ptt180 -80.55 -30.74 37.08 Favored 'General case' 0 C--O 1.214 -0.776 0 N-CA-C 108.547 -0.909 . . . . 25.0 108.547 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 59.1 mt -68.53 -48.55 71.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 122.495 0.318 . . . . 25.0 111.328 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 10.2 ptm -61.67 -27.55 68.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.986 0.422 . . . . 25.0 110.866 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 46.6 m -74.49 -16.27 60.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.768 0.318 . . . . 25.0 111.718 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 81.9 mt -97.31 -48.37 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-O 121.3 0.572 . . . . 25.0 110.643 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.411 ' HB ' HG13 ' A' ' 807' ' ' VAL . 21.7 m -75.85 -14.06 15.1 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 CA-C-N 115.572 -0.74 . . . . 25.0 112.389 -176.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -152.73 66.18 6.11 Favored Pre-proline 0 CA--C 1.545 0.752 0 CA-C-O 121.415 0.626 . . . . 25.0 112.186 -175.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -73.41 -12.12 24.92 Favored 'Trans proline' 0 CA--C 1.535 0.533 0 C-N-CA 117.415 -1.257 . . . . 25.0 111.507 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.84 -7.34 59.22 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 116.099 -0.5 . . . . 25.0 110.32 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 51.4 mmm-85 55.88 45.9 23.18 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 124.483 1.114 . . . . 25.0 111.342 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 87.3 mt -69.11 -24.68 64.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.754 -1.112 . . . . 25.0 108.867 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.86 19.27 58.17 Favored Glycine 0 C--N 1.316 -0.544 0 N-CA-C 111.053 -0.819 . . . . 25.0 111.053 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 3.5 m -147.92 155.55 9.96 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 CA-C-O 121.273 0.559 . . . . 25.0 109.721 -177.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 807' ' ' VAL . . . . . 0.411 HG13 ' HB ' ' A' ' 799' ' ' VAL . 16.6 t -130.36 133.17 64.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.19 -0.914 . . . . 25.0 109.888 -178.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.97 160.62 14.19 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 109.151 -0.685 . . . . 25.0 109.151 179.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -51.9 -42.99 63.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.408 0.623 . . . . 25.0 110.219 178.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -23.61 60.89 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 121.78 -0.575 . . . . 25.0 109.667 -174.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -74.85 -40.27 61.1 Favored 'General case' 0 C--O 1.21 -0.982 0 C-N-CA 120.603 -0.439 . . . . 25.0 111.694 -177.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -69.84 -29.38 66.63 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 118.877 -1.129 . . . . 25.0 109.587 178.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 22.2 mm -62.9 -27.7 43.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 121.806 -0.558 . . . . 25.0 109.642 176.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -61.77 -41.86 98.24 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.378 -0.601 . . . . 25.0 109.378 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -84.19 -23.39 30.56 Favored 'General case' 0 C--O 1.212 -0.901 0 C-N-CA 119.251 -0.98 . . . . 25.0 112.098 178.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -64.13 -31.77 73.08 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 107.63 -1.248 . . . . 25.0 107.63 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 31.9 t -61.25 -30.11 70.26 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.799 0.809 . . . . 25.0 111.29 175.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 60.4 mtt180 -89.85 -25.5 21.0 Favored 'General case' 0 C--O 1.214 -0.81 0 CA-C-N 115.417 -0.81 . . . . 25.0 111.98 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -73.27 -36.11 66.28 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 109.275 -0.639 . . . . 25.0 109.275 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.38 27.46 4.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.771 0.796 . . . . 25.0 110.03 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -61.93 -28.52 69.59 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 114.492 1.293 . . . . 25.0 114.492 -176.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -54.08 145.41 17.03 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 114.508 1.299 . . . . 25.0 114.508 -175.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 5.8 m -63.74 142.39 58.42 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 114.37 -1.286 . . . . 25.0 111.859 -178.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -62.46 135.54 57.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.455 -0.793 . . . . 25.0 109.54 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 13.2 t -67.91 -26.85 66.19 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.233 0.827 . . . . 25.0 113.233 -176.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -74.78 -31.68 61.83 Favored 'General case' 0 C--O 1.238 0.457 0 O-C-N 121.689 -0.632 . . . . 25.0 110.02 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.42 -35.72 81.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.083 0.468 . . . . 25.0 109.963 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -60.65 -48.56 81.25 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-O 121.376 0.608 . . . . 25.0 112.604 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 10.2 p -73.93 -33.58 37.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 -176.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 8.5 tpt -64.42 -42.07 96.25 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 122.272 1.034 . . . . 25.0 109.824 177.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -63.82 -35.73 81.57 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 115.839 -0.619 . . . . 25.0 110.167 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 21.4 t -60.53 -43.54 97.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.074 0.398 . . . . 25.0 112.074 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -63.31 -35.29 79.87 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.25 -0.58 . . . . 25.0 109.99 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -69.12 -19.04 64.03 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 123.068 0.547 . . . . 25.0 112.456 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 66.4 mt -83.73 -39.56 15.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 N-CA-C 108.136 -1.061 . . . . 25.0 108.136 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . 0.449 ' HG ' HD11 ' A' ' 843' ' ' ILE . 0.3 OUTLIER -84.69 -33.41 23.18 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.462 0.542 . . . . 25.0 112.462 -174.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.883 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -74.97 -47.51 28.99 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 106.411 -1.7 . . . . 25.0 106.411 174.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 54.83 -97.52 0.04 OUTLIER Glycine 0 CA--C 1.489 -1.556 0 CA-C-N 112.153 -2.294 . . . . 25.0 114.23 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -83.34 0.81 44.25 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 120.178 -0.609 . . . . 25.0 112.543 -175.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -95.95 143.9 26.73 Favored 'General case' 0 CA--C 1.502 -0.886 0 N-CA-C 106.364 -1.717 . . . . 25.0 106.364 175.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -86.86 7.56 26.67 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.392 0.615 . . . . 25.0 109.941 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -152.79 174.84 13.55 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.079 -0.712 . . . . 25.0 109.079 -177.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . 0.883 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.2 OUTLIER -137.36 155.13 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 N-CA-C 107.215 -1.402 . . . . 25.0 107.215 -177.134 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 73.8 p -104.78 161.01 14.53 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 108.215 -1.032 . . . . 25.0 108.215 173.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 73.0 mtm -60.69 -37.72 82.56 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.189 -0.914 . . . . 25.0 109.046 176.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.38 -38.55 91.44 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.17 -0.468 . . . . 25.0 111.801 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -67.28 -48.43 67.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.324 -0.398 . . . . 25.0 110.91 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.9 pp -72.6 -28.77 62.98 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.311 -0.956 . . . . 25.0 111.077 -177.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -74.92 -12.99 60.48 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 121.212 -0.93 . . . . 25.0 111.195 177.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -73.3 -24.77 60.44 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.41 -0.806 . . . . 25.0 109.009 177.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -97.06 -31.98 12.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 123.607 0.567 . . . . 25.0 110.994 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.76 75.54 70.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 109.865 -0.42 . . . . 25.0 109.865 175.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -54.46 -35.3 84.77 Favored 'Trans proline' 0 CA--C 1.548 1.188 0 N-CA-C 118.682 2.532 . . . . 25.0 118.682 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -77.12 -162.0 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 C-N-CA 115.715 -2.39 . . . . 25.0 113.201 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -53.57 -16.2 1.45 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 114.65 1.352 . . . . 25.0 114.65 -177.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 31.3 mm100 -52.24 -44.88 65.1 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 121.801 -0.562 . . . . 25.0 110.316 174.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.67 -38.52 91.43 Favored 'General case' 0 C--O 1.214 -0.781 0 C-N-CA 120.898 -0.321 . . . . 25.0 111.601 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -66.99 -40.28 87.33 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.067 0.46 . . . . 25.0 110.342 -177.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -66.34 -32.65 74.18 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 108.315 -0.995 . . . . 25.0 108.315 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 63.3 m -71.54 -43.24 66.76 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 122.397 -0.189 . . . . 25.0 110.557 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 15.8 mt -64.65 -36.38 77.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.222 -0.659 . . . . 25.0 109.222 179.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.96 -15.17 62.76 Favored 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 111.953 0.353 . . . . 25.0 111.953 177.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -108.34 -30.97 8.04 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 114.013 1.116 . . . . 25.0 114.013 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 8.7 ttm -68.89 153.39 43.88 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 113.473 0.916 . . . . 25.0 113.473 -176.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -82.11 145.04 51.93 Favored Pre-proline 0 C--N 1.317 -0.82 0 N-CA-C 108.765 -0.828 . . . . 25.0 108.765 -177.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -75.75 152.1 37.0 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 120.982 1.121 . . . . 25.0 113.181 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -115.49 125.64 53.31 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 113.132 0.79 . . . . 25.0 113.132 -178.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 6.3 m -131.49 66.69 1.54 Allowed 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.66 -0.867 . . . . 25.0 108.66 177.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -116.26 -167.46 14.83 Favored Glycine 0 N--CA 1.46 0.286 0 CA-C-N 115.422 -0.808 . . . . 25.0 113.721 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -69.84 -29.99 22.6 Favored 'Trans proline' 0 C--N 1.349 0.574 0 N-CA-C 115.313 1.236 . . . . 25.0 115.313 -178.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -96.91 29.58 3.01 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 109.331 -0.618 . . . . 25.0 109.331 -178.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 95.9 p -78.26 148.37 33.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 123.202 1.477 . . . . 25.0 112.898 -173.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 15.7 m -135.43 163.35 51.49 Favored Pre-proline 0 C--N 1.319 -0.744 0 N-CA-C 103.082 -2.933 . . . . 25.0 103.082 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -57.67 -23.99 60.49 Favored 'Trans proline' 0 C--N 1.349 0.576 0 N-CA-C 116.32 1.623 . . . . 25.0 116.32 -177.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -109.63 37.67 3.67 Favored Glycine 0 CA--C 1.507 -0.428 0 CA-C-O 119.823 -0.431 . . . . 25.0 113.061 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -91.3 138.37 31.64 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.209 0.528 . . . . 25.0 111.584 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 43.8 mt -134.56 139.49 45.43 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 108.07 -1.085 . . . . 25.0 108.07 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -89.8 103.5 16.15 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 107.057 -1.46 . . . . 25.0 107.057 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -75.93 -35.52 59.72 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-N 115.249 -0.887 . . . . 25.0 109.04 -176.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 1.5 mtp -63.99 -23.97 67.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.239 0.542 . . . . 25.0 110.153 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 4.0 t -87.23 -18.61 29.87 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.104 0.779 . . . . 25.0 113.104 177.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -57.75 -41.49 82.02 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.173 0.511 . . . . 25.0 111.404 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -18.81 8.05 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 114.457 1.28 . . . . 25.0 114.457 175.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 43.0 p -109.25 -16.85 13.97 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 114.099 1.148 . . . . 25.0 114.099 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -156.72 136.48 12.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.867 0.365 . . . . 25.0 111.395 -177.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -144.75 145.37 31.65 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 105.941 -1.874 . . . . 25.0 105.941 176.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -126.09 -2.09 7.06 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 114.307 1.225 . . . . 25.0 114.307 -175.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -85.56 2.89 87.82 Favored Glycine 0 CA--C 1.508 -0.36 0 N-CA-C 114.956 0.742 . . . . 25.0 114.956 -176.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -71.53 148.82 46.35 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 107.841 -1.17 . . . . 25.0 107.841 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 74.0 m -147.6 173.16 12.98 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 107.088 -1.449 . . . . 25.0 107.088 -176.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 58.18 45.37 17.56 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 124.352 1.033 . . . . 25.0 110.114 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 73.2 mt . . . . . 0 C--O 1.243 0.74 0 CA-C-N 114.043 -1.435 . . . . 25.0 109.074 179.218 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.064 0 N-CA-C 111.366 -0.693 . . . . 25.0 111.366 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 28.7 t -164.7 146.91 8.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 105.531 -2.025 . . . . 25.0 105.531 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 36.9 p -78.69 -30.93 46.34 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.748 -1.204 . . . . 25.0 107.748 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 3.6 mt -80.29 115.87 23.49 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.784 0 N-CA-C 115.774 1.768 . . . . 25.0 115.774 -178.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 73.9 m -94.54 173.96 7.36 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 111.294 -2.685 . . . . 25.0 105.902 170.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -62.77 -33.43 75.15 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 120.644 -1.285 . . . . 25.0 110.82 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -73.15 -22.93 60.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 119.54 -0.266 . . . . 25.0 111.0 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.26 -55.74 6.02 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-O 120.986 0.422 . . . . 25.0 110.834 178.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 23.0 ptp -58.51 -25.4 62.34 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 119.505 -0.878 . . . . 25.0 110.418 178.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -54.97 28.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.568 -0.742 . . . . 25.0 110.032 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -72.72 -30.64 64.36 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 110.167 -0.309 . . . . 25.0 110.167 -176.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -60.23 -50.31 74.16 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.206 -0.664 . . . . 25.0 109.206 175.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -65.67 -42.31 91.44 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 120.947 -0.301 . . . . 25.0 110.71 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -67.21 -37.93 84.44 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 113.132 0.789 . . . . 25.0 113.132 -177.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 50.9 m -68.74 -42.7 77.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 118.045 0.384 . . . . 25.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -41.68 94.86 Favored 'General case' 0 C--O 1.209 -1.076 0 N-CA-C 107.913 -1.143 . . . . 25.0 107.913 177.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.32 -29.42 64.99 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.952 0.723 . . . . 25.0 112.952 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -72.14 -31.67 66.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.136 0.494 . . . . 25.0 110.365 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -89.1 -39.37 13.67 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 109.174 -0.676 . . . . 25.0 109.174 178.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . 0.436 ' HA ' HD21 ' A' ' 766' ' ' LEU . 48.1 t0 -90.79 71.18 6.62 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 122.758 1.266 . . . . 25.0 108.287 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -79.99 -0.5 35.59 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 113.911 -1.495 . . . . 25.0 110.427 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -93.87 -11.49 31.0 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 107.431 -1.322 . . . . 25.0 107.431 177.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 55.43 36.73 27.72 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 114.395 -1.275 . . . . 25.0 112.35 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 40.2 t -69.83 -26.7 64.36 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 114.863 -1.062 . . . . 25.0 109.885 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 93.65 -1.57 68.99 Favored Glycine 0 C--O 1.238 0.372 0 N-CA-C 109.81 -1.316 . . . . 25.0 109.81 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 16.3 p -147.95 154.93 40.98 Favored 'General case' 0 CA--C 1.506 -0.738 0 C-N-CA 123.453 0.701 . . . . 25.0 109.922 -176.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 766' ' ' LEU . . . . . 0.475 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 21.3 mt -137.7 173.38 11.71 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.24 -1.022 . . . . 25.0 108.24 177.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.13 174.26 55.29 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 121.102 -0.57 . . . . 25.0 111.75 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.71 -27.93 31.32 Favored 'Trans proline' 0 C--O 1.225 -0.166 0 C-N-CA 121.099 1.2 . . . . 25.0 112.322 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -82.71 -37.7 24.37 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.786 0.327 . . . . 25.0 110.379 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -67.38 -53.59 27.98 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.614 -0.267 . . . . 25.0 110.458 -178.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 771' ' ' PHE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -58.62 -30.95 67.65 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 112.923 0.712 . . . . 25.0 112.923 174.086 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -65.13 -44.4 88.81 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.608 0.64 . . . . 25.0 109.875 177.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -72.52 -24.94 61.22 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.035 0.445 . . . . 25.0 110.921 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 49.4 t -63.12 -35.75 81.32 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 109.621 -0.511 . . . . 25.0 109.621 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 14.8 mt -64.58 -35.65 81.66 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-O 121.903 0.859 . . . . 25.0 109.719 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 61.4 mt -60.92 -32.52 52.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 O-C-N 121.575 -0.703 . . . . 25.0 110.48 -176.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 19.1 t -61.8 -21.72 64.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.366 -0.379 . . . . 25.0 111.617 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 18.0 mt -92.32 -20.7 20.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.198 0.523 . . . . 25.0 110.22 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 124.45 20.06 2.47 Favored Glycine 0 C--O 1.218 -0.886 0 N-CA-C 115.084 0.794 . . . . 25.0 115.084 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -87.49 141.71 28.42 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.536 -1.283 . . . . 25.0 107.536 -177.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -96.17 35.01 1.49 Allowed 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.088 -0.96 . . . . 25.0 111.091 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 77.8 mt -108.41 87.45 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 105.469 -2.048 . . . . 25.0 105.469 -177.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -154.11 87.14 0.13 Allowed Glycine 0 C--O 1.228 -0.276 0 N-CA-C 118.351 2.1 . . . . 25.0 118.351 -173.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 59.17 27.85 16.97 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.074 0.95 . . . . 25.0 112.396 175.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -115.8 161.98 27.76 Favored Pre-proline 0 C--N 1.321 -0.665 0 N-CA-C 106.131 -1.803 . . . . 25.0 106.131 177.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -73.16 -16.3 25.27 Favored 'Trans proline' 0 CA--C 1.511 -0.64 0 C-N-CA 116.453 -1.898 . . . . 25.0 114.71 -177.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -85.11 -39.32 18.06 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 118.792 -1.163 . . . . 25.0 108.253 -175.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -65.47 -43.38 94.86 Favored Glycine 0 C--O 1.201 -1.927 0 N-CA-C 109.537 -1.425 . . . . 25.0 109.537 178.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -58.96 -35.85 73.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 118.691 1.246 . . . . 25.0 111.374 177.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.9 -32.6 74.18 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-O 119.149 -0.453 . . . . 25.0 111.097 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -97.57 -20.91 17.38 Favored 'General case' 0 N--CA 1.424 -1.738 0 N-CA-C 109.754 -0.461 . . . . 25.0 109.754 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.08 -33.01 65.37 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 106.497 -1.668 . . . . 25.0 106.497 178.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.59 -29.77 68.2 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.826 0.822 . . . . 25.0 112.991 177.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.6 -39.2 24.86 Favored 'General case' 0 N--CA 1.503 2.193 0 N-CA-C 107.239 -1.393 . . . . 25.0 107.239 178.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 72.4 mt -60.08 -49.54 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.244 0 CA-C-N 116.188 -0.46 . . . . 25.0 110.382 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 25.9 ptm -62.04 -28.35 69.53 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-O 121.007 0.432 . . . . 25.0 110.585 -177.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 59.4 m -72.78 -19.7 61.3 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.869 -0.519 . . . . 25.0 111.589 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 75.8 mt -94.68 -47.7 13.2 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 CA-C-O 121.121 0.486 . . . . 25.0 110.354 -177.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.433 ' HB ' HG13 ' A' ' 807' ' ' VAL . 26.4 m -74.75 -14.12 15.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 112.56 0.578 . . . . 25.0 112.56 -176.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -150.93 70.25 8.56 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.268 -0.878 . . . . 25.0 110.425 -176.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -72.7 -14.45 27.13 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 117.367 -1.289 . . . . 25.0 111.69 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.5 -9.05 58.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.471 -0.331 . . . . 25.0 111.313 -178.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 25.5 mmt85 58.92 46.43 13.76 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.042 0.839 . . . . 25.0 111.752 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 84.1 mt -71.27 -26.52 62.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.26 -1.336 . . . . 25.0 109.283 176.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 87.84 20.14 51.43 Favored Glycine 0 C--O 1.227 -0.317 0 CA-C-N 115.448 -0.796 . . . . 25.0 111.724 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 13.5 m -146.3 157.56 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 109.46 -0.571 . . . . 25.0 109.46 -176.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 807' ' ' VAL . . . . . 0.433 HG13 ' HB ' ' A' ' 799' ' ' VAL . 15.8 t -131.79 133.47 61.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 123.191 0.596 . . . . 25.0 110.239 -178.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.31 160.49 14.3 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.577 -0.527 . . . . 25.0 109.577 178.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -52.69 -43.07 65.34 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-O 121.892 0.853 . . . . 25.0 110.314 178.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -20.72 59.45 Favored 'General case' 0 C--N 1.314 -0.945 0 O-C-N 121.736 -0.602 . . . . 25.0 110.002 -174.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -77.01 -39.68 49.41 Favored 'General case' 0 C--O 1.217 -0.63 0 C-N-CA 120.172 -0.611 . . . . 25.0 110.892 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.412 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 0.7 OUTLIER -68.17 -31.48 71.06 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 118.635 -1.226 . . . . 25.0 109.05 177.081 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 17.0 mm -64.83 -28.33 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 109.128 -0.693 . . . . 25.0 109.128 178.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -61.64 -44.89 96.13 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.912 -0.315 . . . . 25.0 110.672 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 815' ' ' PHE . . . . . 0.412 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.7 p90 -78.48 -23.68 46.3 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.276 -0.969 . . . . 25.0 111.011 177.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -22.51 66.95 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 108.137 -1.06 . . . . 25.0 108.137 -177.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 35.1 t -57.74 -28.49 63.96 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.895 -0.503 . . . . 25.0 112.134 177.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -66.63 -28.98 68.91 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-O 121.983 0.897 . . . . 25.0 110.162 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -84.27 -21.74 30.99 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.478 -1.237 . . . . 25.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.68 -9.62 59.6 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.2 0.524 . . . . 25.0 109.901 178.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -77.37 62.25 2.34 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.749 0.819 . . . . 25.0 112.22 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -77.06 -21.98 53.61 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.138 0.792 . . . . 25.0 113.138 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 4.7 p -148.78 160.79 42.87 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.933 -1.136 . . . . 25.0 107.933 -178.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -87.75 170.12 11.5 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.186 -1.042 . . . . 25.0 108.186 175.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 18.7 p -64.93 -26.3 68.25 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 115.547 1.684 . . . . 25.0 115.547 -175.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -88.91 -34.34 16.96 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 121.72 -0.613 . . . . 25.0 112.503 178.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -67.43 -38.15 84.11 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 121.837 -0.539 . . . . 25.0 111.095 -176.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -56.53 -40.45 75.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.359 0.599 . . . . 25.0 112.061 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 7.5 p -88.61 -30.75 5.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.562 -0.744 . . . . 25.0 109.31 -174.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 22.9 ttm -65.71 -37.34 86.18 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 109.863 -0.421 . . . . 25.0 109.863 176.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -57.14 -36.42 70.69 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.127 -0.323 . . . . 25.0 110.127 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 15.7 m -71.55 -44.29 64.83 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 121.094 -0.242 . . . . 25.0 110.999 -178.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -63.7 -39.59 94.68 Favored 'General case' 0 C--O 1.206 -1.186 0 C-N-CA 119.883 -0.727 . . . . 25.0 109.733 178.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -55.62 -27.1 47.73 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.197 0.599 . . . . 25.0 112.589 -177.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 59.7 mt -71.96 -46.49 59.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.162 -0.681 . . . . 25.0 109.162 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.75 -27.2 27.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.844 0.831 . . . . 25.0 111.971 -176.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.572 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -79.99 -14.15 58.8 Favored 'General case' 0 C--O 1.205 -1.273 0 CA-C-N 115.212 -0.904 . . . . 25.0 113.107 -177.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -57.47 -16.24 20.69 Favored Glycine 0 C--O 1.22 -0.73 0 O-C-N 123.382 0.426 . . . . 25.0 114.042 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -64.98 -29.97 70.92 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.461 0.704 . . . . 25.0 110.917 174.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -138.03 -165.09 1.73 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.097 0.559 . . . . 25.0 109.906 -175.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -107.57 9.0 29.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.156 -0.34 . . . . 25.0 110.525 175.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -156.89 -179.54 8.31 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.858 -0.423 . . . . 25.0 109.858 -176.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . 0.572 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.2 OUTLIER -134.19 151.71 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 108.581 -0.896 . . . . 25.0 108.581 -178.262 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 64.3 p -102.72 162.68 12.73 Favored 'General case' 0 C--N 1.315 -0.935 0 O-C-N 120.978 -1.076 . . . . 25.0 108.777 173.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 71.9 mtm -60.06 -36.09 76.58 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.155 -0.929 . . . . 25.0 110.3 177.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -68.14 -40.1 82.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.082 -0.508 . . . . 25.0 111.3 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -67.32 -45.42 76.5 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 116.108 -0.496 . . . . 25.0 111.631 -178.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.0 pp -70.02 -26.4 64.04 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.399 -0.921 . . . . 25.0 110.247 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -75.37 -11.24 60.01 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 121.662 -0.649 . . . . 25.0 111.403 177.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -70.06 -27.82 64.95 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 176.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -82.98 -46.67 12.61 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.427 -0.806 . . . . 25.0 109.717 -178.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.74 82.66 59.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.309 -0.86 . . . . 25.0 110.206 -178.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -60.86 -27.0 84.1 Favored 'Trans proline' 0 CA--C 1.549 1.229 0 N-CA-C 118.453 2.444 . . . . 25.0 118.453 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -75.77 -164.58 0.25 Allowed 'Trans proline' 0 C--N 1.362 1.254 0 C-N-CA 113.539 -3.841 . . . . 25.0 112.541 177.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -57.37 -14.11 4.27 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 115.251 1.575 . . . . 25.0 115.251 -177.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -50.4 -40.2 49.27 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.716 -0.615 . . . . 25.0 110.895 173.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.78 95.18 Favored 'General case' 0 C--O 1.213 -0.833 0 C-N-CA 120.668 -0.413 . . . . 25.0 111.281 178.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -63.44 -44.33 94.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.883 0.849 . . . . 25.0 108.796 -177.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -65.92 -33.66 76.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.452 -0.795 . . . . 25.0 109.511 178.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 56.9 m -70.35 -38.08 74.74 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 122.339 -0.226 . . . . 25.0 111.008 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 20.2 mt -64.7 -31.81 55.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.12 -0.696 . . . . 25.0 109.12 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -77.31 -14.07 59.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 122.372 1.082 . . . . 25.0 109.752 -176.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.06 -12.45 14.84 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.049 -0.978 . . . . 25.0 111.568 -175.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 9.0 ttm -88.26 172.48 9.41 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.067 0.46 . . . . 25.0 111.666 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -99.21 145.78 30.61 Favored Pre-proline 0 CA--C 1.545 0.785 0 N-CA-C 107.577 -1.268 . . . . 25.0 107.577 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -76.17 154.71 37.3 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 120.709 0.939 . . . . 25.0 113.786 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -123.73 124.85 43.64 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 112.9 0.704 . . . . 25.0 112.9 179.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 73.5 p -131.55 42.76 3.15 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 108.359 -0.978 . . . . 25.0 108.359 177.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -84.52 -168.11 43.78 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-N 115.532 -0.758 . . . . 25.0 113.397 -177.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -68.91 -28.16 29.82 Favored 'Trans proline' 0 CA--C 1.536 0.606 0 CA-C-N 118.882 1.341 . . . . 25.0 114.894 -177.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -96.63 20.55 10.62 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.354 0.597 . . . . 25.0 110.027 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 85.9 p -75.55 154.52 36.75 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.926 1.454 . . . . 25.0 114.926 -172.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 6.6 m -137.04 166.39 27.55 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 104.005 -2.591 . . . . 25.0 104.005 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -68.09 -2.58 9.09 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 116.928 -1.581 . . . . 25.0 115.637 -177.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -126.03 40.03 1.91 Allowed Glycine 0 CA--C 1.509 -0.321 0 N-CA-C 111.588 -0.605 . . . . 25.0 111.588 176.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -95.54 139.4 31.86 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 112.468 0.544 . . . . 25.0 112.468 -177.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 63.7 mt -136.54 142.81 43.45 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.423 -0.954 . . . . 25.0 108.423 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -91.82 107.0 18.9 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 107.544 -1.28 . . . . 25.0 107.544 178.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -76.87 -34.41 57.79 Favored 'General case' 0 CA--C 1.497 -1.07 0 CA-C-N 115.274 -0.876 . . . . 25.0 109.144 -177.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -27.27 67.63 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.077 -0.51 . . . . 25.0 109.944 -179.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.3 t -86.03 -10.66 54.63 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 113.161 0.8 . . . . 25.0 113.161 -176.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -59.02 -38.4 79.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.238 0.542 . . . . 25.0 111.604 -177.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 20.4 p -65.5 -14.23 60.58 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.909 -0.494 . . . . 25.0 112.035 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 44.4 p -109.25 -15.66 14.23 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.906 0.706 . . . . 25.0 112.906 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -157.92 131.58 7.84 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.155 0.502 . . . . 25.0 112.006 -177.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -149.09 156.73 42.64 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 105.76 -1.941 . . . . 25.0 105.76 177.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -128.8 -3.22 5.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.003 0.43 . . . . 25.0 111.319 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -102.31 -129.07 6.55 Favored Glycine 0 C--O 1.228 -0.273 0 N-CA-C 108.741 -1.743 . . . . 25.0 108.741 174.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -126.78 145.4 50.64 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.306 -0.998 . . . . 25.0 108.306 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 35.8 p -104.25 -8.03 19.63 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 113.944 1.09 . . . . 25.0 113.944 -176.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -97.58 20.48 11.74 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.326 0.584 . . . . 25.0 111.655 -172.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 9.2 tp . . . . . 0 C--O 1.256 1.423 0 CA-C-O 118.015 -0.993 . . . . 25.0 112.215 -179.305 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.803 0 N-CA-C 112.514 -0.234 . . . . 25.0 112.514 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 82.5 p -164.92 171.36 14.15 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 103.531 -2.766 . . . . 25.0 103.531 176.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 30.7 p -84.17 10.34 10.49 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 118.616 0.644 . . . . 25.0 110.667 176.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 4.4 mt -79.39 117.41 25.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 117.385 2.365 . . . . 25.0 117.385 -175.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 50.5 m -92.23 170.74 9.57 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 112.366 -2.197 . . . . 25.0 105.797 169.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -60.1 -32.34 70.89 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.311 -1.493 . . . . 25.0 111.691 177.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -74.39 -24.1 59.08 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 122.303 -0.248 . . . . 25.0 110.458 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.77 -53.59 11.18 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 121.405 0.621 . . . . 25.0 110.305 178.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 24.6 ptp -60.06 -25.67 65.55 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 119.294 -0.962 . . . . 25.0 109.978 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -52.55 61.41 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.83 -0.433 . . . . 25.0 109.83 178.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -73.21 -30.18 63.33 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 110.048 -0.352 . . . . 25.0 110.048 -177.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -63.57 -44.3 94.49 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.273 0.558 . . . . 25.0 109.722 176.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -67.03 -42.75 84.35 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 109.119 -0.697 . . . . 25.0 109.119 178.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -66.92 -38.23 85.82 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 113.424 0.898 . . . . 25.0 113.424 -177.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 17.2 p -70.38 -42.93 71.11 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 118.797 0.726 . . . . 25.0 109.766 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -40.52 84.89 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 108.434 -0.95 . . . . 25.0 108.434 176.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.23 -31.17 65.58 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-O 121.42 0.629 . . . . 25.0 112.242 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -67.12 -32.37 73.46 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 121.705 -0.622 . . . . 25.0 110.286 -178.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -92.22 -41.67 10.29 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 108.748 -0.834 . . . . 25.0 108.748 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -90.46 71.73 6.97 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 122.662 1.22 . . . . 25.0 109.229 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 36.9 mtm180 -80.93 1.0 32.88 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 113.975 -1.466 . . . . 25.0 110.939 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -96.53 -9.87 28.59 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.053 -1.091 . . . . 25.0 108.053 178.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 54.68 39.61 31.39 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.823 1.249 . . . . 25.0 111.946 -178.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 47.5 t -68.76 -24.71 64.47 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.291 -1.004 . . . . 25.0 108.291 176.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 90.56 -3.84 81.84 Favored Glycine 0 C--O 1.243 0.669 0 N-CA-C 109.201 -1.56 . . . . 25.0 109.201 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 19.2 p -145.66 158.84 43.8 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 123.632 0.773 . . . . 25.0 109.783 -175.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 766' ' ' LEU . . . . . 0.479 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 25.3 mt -139.95 173.59 11.37 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.906 -1.146 . . . . 25.0 107.906 175.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -85.67 -179.27 50.3 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 110.267 -1.133 . . . . 25.0 110.267 -178.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -68.56 -32.17 25.23 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 121.659 1.573 . . . . 25.0 115.207 -174.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -84.87 -35.78 21.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.51 -0.744 . . . . 25.0 109.408 -178.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -63.2 -53.96 44.96 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.261 -0.427 . . . . 25.0 110.428 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 771' ' ' PHE . . . . . 0.479 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -61.59 -28.79 69.6 Favored 'General case' 0 C--O 1.219 -0.552 0 N-CA-C 113.489 0.922 . . . . 25.0 113.489 173.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -65.79 -48.6 71.22 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 108.966 -0.753 . . . . 25.0 108.966 177.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -69.15 -24.1 64.04 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.539 0.685 . . . . 25.0 111.006 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 51.8 t -62.96 -31.62 72.77 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.546 -0.752 . . . . 25.0 109.908 177.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 15.9 mt -70.83 -33.81 71.05 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-O 121.64 0.733 . . . . 25.0 109.952 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 54.8 mt -60.83 -32.84 53.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 O-C-N 121.677 -0.64 . . . . 25.0 110.201 -176.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 41.2 m -63.14 -18.36 63.36 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.164 -0.471 . . . . 25.0 112.174 177.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 15.0 mt -97.04 -15.57 20.97 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 123.128 0.571 . . . . 25.0 111.169 178.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 119.12 22.4 3.52 Favored Glycine 0 C--O 1.218 -0.852 0 N-CA-C 115.371 0.908 . . . . 25.0 115.371 178.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -93.37 148.57 21.94 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.57 -1.27 . . . . 25.0 107.57 -177.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -101.45 31.05 3.91 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 122.396 1.093 . . . . 25.0 109.668 178.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 42.2 mt -103.3 97.93 6.19 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.789 0 N-CA-C 106.914 -1.513 . . . . 25.0 106.914 -177.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -142.09 -138.76 3.53 Favored Glycine 0 C--O 1.253 1.304 0 N-CA-C 109.833 -1.307 . . . . 25.0 109.833 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -82.47 5.13 21.6 Favored 'General case' 0 N--CA 1.435 -1.175 0 O-C-N 121.567 -0.961 . . . . 25.0 109.843 176.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.33 141.64 93.82 Favored Pre-proline 0 C--N 1.317 -0.814 0 N-CA-C 105.581 -2.007 . . . . 25.0 105.581 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -69.08 -21.08 37.16 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 117.309 -1.327 . . . . 25.0 114.33 -171.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -80.32 -36.52 34.14 Favored 'General case' 0 C--O 1.221 -0.425 0 N-CA-C 108.021 -1.104 . . . . 25.0 108.021 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -65.16 -46.07 89.24 Favored Glycine 0 C--O 1.201 -1.959 0 N-CA-C 109.292 -1.523 . . . . 25.0 109.292 177.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.91 -37.55 76.88 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 121.74 -0.859 . . . . 25.0 111.666 177.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.02 -40.21 97.05 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 110.392 -0.225 . . . . 25.0 110.392 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -88.78 -16.86 31.09 Favored 'General case' 0 C--O 1.249 1.052 0 N-CA-C 110.381 -0.229 . . . . 25.0 110.381 -178.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.55 -30.66 61.83 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 107.738 -1.208 . . . . 25.0 107.738 173.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -61.97 -30.84 71.2 Favored 'General case' 0 CA--C 1.569 1.68 0 CA-C-O 119.711 -0.185 . . . . 25.0 110.798 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -40.9 63.16 Favored 'General case' 0 C--O 1.203 -1.388 0 CA-C-O 123.064 1.411 . . . . 25.0 109.07 176.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 58.9 mt -61.72 -50.12 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.674 0 CA-C-N 114.059 -1.428 . . . . 25.0 110.491 -174.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 17.5 ptt? -62.43 -22.97 66.6 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 111.896 0.332 . . . . 25.0 111.896 -178.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 21.4 m -83.33 -19.14 36.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.43 -0.35 . . . . 25.0 111.632 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 70.0 mt -93.71 -47.77 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 CA-C-O 121.0 0.428 . . . . 25.0 110.064 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 19.3 m -74.94 -13.38 15.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 N-CA-C 113.056 0.761 . . . . 25.0 113.056 -177.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -156.25 70.65 5.03 Favored Pre-proline 0 C--O 1.243 0.742 0 CA-C-N 115.524 -0.762 . . . . 25.0 110.242 -175.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -72.87 -15.05 26.65 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 117.573 -1.152 . . . . 25.0 112.194 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.59 -4.77 59.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 25.0 110.459 -178.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 57.2 42.71 25.04 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 124.188 0.93 . . . . 25.0 111.561 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 80.8 mt -69.08 -25.22 64.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.065 -0.97 . . . . 25.0 108.945 176.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 88.3 18.87 54.59 Favored Glycine 0 C--O 1.224 -0.512 0 CA-C-N 116.25 -0.432 . . . . 25.0 112.642 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 15.6 m -142.39 153.86 18.16 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 CA-C-N 117.521 0.661 . . . . 25.0 110.322 -178.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 9.3 t -130.53 132.93 64.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 115.648 -0.706 . . . . 25.0 109.175 -178.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.4 161.11 13.94 Favored 'General case' 0 CA--C 1.502 -0.868 0 N-CA-C 109.039 -0.726 . . . . 25.0 109.039 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -51.82 -43.16 63.01 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-O 121.807 0.813 . . . . 25.0 110.141 178.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.86 -22.56 56.08 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 119.917 -0.713 . . . . 25.0 110.391 -174.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -71.9 -39.07 69.8 Favored 'General case' 0 C--O 1.212 -0.878 0 C-N-CA 120.319 -0.553 . . . . 25.0 110.93 -178.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -71.5 -29.78 65.2 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 118.576 -1.25 . . . . 25.0 110.052 177.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 16.3 mm -63.72 -28.53 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 121.199 0.523 . . . . 25.0 110.037 177.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -57.18 -53.39 58.62 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.098 -0.705 . . . . 25.0 109.098 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -76.14 -22.68 55.17 Favored 'General case' 0 C--O 1.212 -0.878 0 C-N-CA 118.967 -1.093 . . . . 25.0 111.183 -176.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -63.01 -36.55 83.94 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 107.93 -1.137 . . . . 25.0 107.93 -176.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 41.0 t -68.67 -36.77 78.97 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 109.803 -0.443 . . . . 25.0 109.803 176.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 -70.79 -35.6 72.64 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.695 -0.628 . . . . 25.0 110.969 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -73.28 -23.79 60.34 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 110.065 -0.346 . . . . 25.0 110.065 177.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 50.6 m -66.78 -41.02 88.34 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 108.361 -0.978 . . . . 25.0 108.361 176.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . 50.9 39.13 21.87 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.477 0.917 . . . . 25.0 113.477 177.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -87.68 -173.2 4.21 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.614 0.721 . . . . 25.0 112.789 -178.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 14.5 t -124.04 161.8 24.79 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 105.59 -2.004 . . . . 25.0 105.59 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -154.17 157.69 39.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 118.043 0.383 . . . . 25.0 111.033 -174.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 37.7 p -72.09 -24.98 61.59 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 108.23 -1.026 . . . . 25.0 108.23 177.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -77.39 -10.06 59.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.111 -0.95 . . . . 25.0 111.951 177.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -56.94 -30.31 63.91 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-O 121.272 0.558 . . . . 25.0 110.638 -178.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -56.44 -48.63 76.62 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.821 0.819 . . . . 25.0 112.167 178.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 10.7 p -83.91 -30.99 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.792 -0.64 . . . . 25.0 109.662 -177.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 19.2 ttm -65.31 -34.51 78.52 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-N 116.234 -0.439 . . . . 25.0 110.578 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -55.5 -38.36 69.07 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 116.394 -0.366 . . . . 25.0 110.603 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 92.9 p -66.39 -43.93 84.49 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 120.136 -0.626 . . . . 25.0 110.573 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -67.47 -37.78 83.43 Favored 'General case' 0 C--O 1.211 -0.932 0 CA-C-O 121.389 0.614 . . . . 25.0 110.496 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -66.24 -21.18 66.29 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 122.917 0.487 . . . . 25.0 111.62 -177.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 50.5 mt -79.81 -42.34 22.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 108.42 -0.956 . . . . 25.0 108.42 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.49 -32.9 23.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.39 0.614 . . . . 25.0 112.52 -177.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.488 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -108.28 17.17 22.5 Favored 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 115.967 -0.56 . . . . 25.0 112.43 -176.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -67.35 -17.59 68.58 Favored Glycine 0 C--O 1.217 -0.932 0 N-CA-C 108.738 -1.745 . . . . 25.0 108.738 170.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -68.21 -30.78 69.94 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.497 0.719 . . . . 25.0 110.74 176.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -123.12 -155.34 0.65 Allowed 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 107.395 -1.335 . . . . 25.0 107.395 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 24.3 p-10 -127.2 12.58 7.11 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 121.541 -0.725 . . . . 25.0 109.292 175.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . 0.406 ' HB3' ' CE1' ' A' ' 867' ' ' TYR . 10.5 p90 -156.55 173.64 16.63 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 108.603 -0.888 . . . . 25.0 108.603 -176.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . 0.488 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.4 OUTLIER -131.6 152.06 36.49 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.759 0 N-CA-C 107.953 -1.129 . . . . 25.0 107.953 -176.855 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 37.8 p -99.96 161.75 13.41 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 107.563 -1.273 . . . . 25.0 107.563 175.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 75.9 mtm -59.65 -31.87 69.93 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.558 -0.746 . . . . 25.0 109.31 177.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -71.58 -44.46 64.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.554 -0.748 . . . . 25.0 112.644 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -65.08 -45.58 84.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.963 -0.562 . . . . 25.0 111.504 -177.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.1 pp -67.4 -26.35 66.4 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.353 -0.842 . . . . 25.0 110.69 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -67.76 -18.4 64.87 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.476 -0.765 . . . . 25.0 112.432 176.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . 0.401 ' HG2' ' HG2' ' A' ' 851' ' ' GLU . 0.9 OUTLIER -72.29 -26.25 61.9 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 178.422 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . 0.401 ' HG2' ' HG2' ' A' ' 850' ' ' ARG . 6.7 mm-40 -83.11 -42.47 17.35 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 115.522 -0.763 . . . . 25.0 110.886 -176.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.42 81.56 69.77 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 116.159 -0.473 . . . . 25.0 111.122 -177.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -53.86 -32.85 68.92 Favored 'Trans proline' 0 CA--C 1.551 1.337 0 N-CA-C 119.339 2.784 . . . . 25.0 119.339 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -77.4 -167.32 0.46 Allowed 'Trans proline' 0 C--N 1.364 1.394 0 C-N-CA 114.652 -3.099 . . . . 25.0 112.794 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -52.65 -16.49 0.96 Allowed 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 115.754 1.761 . . . . 25.0 115.754 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -49.65 -39.06 34.83 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 122.164 -0.335 . . . . 25.0 111.032 173.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -68.92 -39.17 79.81 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 112.15 0.426 . . . . 25.0 112.15 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -62.7 -43.76 97.98 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.54 -0.911 . . . . 25.0 108.54 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -64.88 -35.72 82.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.264 -0.88 . . . . 25.0 109.838 177.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 24.6 m -66.28 -44.41 83.62 Favored 'General case' 0 C--O 1.213 -0.827 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 22.3 mt -61.58 -40.76 87.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.892 -0.41 . . . . 25.0 109.892 178.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.69 -21.92 66.58 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.79 0.663 . . . . 25.0 112.79 179.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -107.64 -24.89 11.57 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 113.201 0.815 . . . . 25.0 113.201 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . 0.428 ' HG3' ' HB2' ' A' ' 882' ' ' PHE . 7.0 ttm -66.59 154.7 39.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.522 0.677 . . . . 25.0 111.488 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -80.55 146.4 61.01 Favored Pre-proline 0 C--N 1.318 -0.802 0 N-CA-C 106.728 -1.582 . . . . 25.0 106.728 -177.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -75.79 149.29 33.38 Favored 'Trans proline' 0 CA--C 1.518 -0.277 0 CA-C-N 119.071 0.704 . . . . 25.0 111.481 176.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . 0.406 ' CE1' ' HB3' ' A' ' 842' ' ' TYR . 72.3 t80 -109.22 127.95 54.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.339 0.59 . . . . 25.0 112.352 -178.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 73.0 p -134.82 46.22 2.47 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.595 -0.891 . . . . 25.0 108.595 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -93.63 -169.33 38.6 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 111.539 -0.624 . . . . 25.0 111.539 -177.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -71.13 -28.53 18.78 Favored 'Trans proline' 0 C--O 1.214 -0.717 0 CA-C-N 119.038 1.419 . . . . 25.0 114.654 -178.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -99.27 38.42 1.41 Allowed 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 107.65 -1.241 . . . . 25.0 107.65 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 78.1 p -86.93 152.48 22.39 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.454 1.121 . . . . 25.0 113.677 -174.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 11.1 m -134.75 160.73 67.32 Favored Pre-proline 0 C--N 1.317 -0.815 0 N-CA-C 102.939 -2.986 . . . . 25.0 102.939 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -74.99 46.08 1.46 Allowed 'Trans proline' 0 CA--C 1.546 1.08 0 C-N-CA 121.367 1.378 . . . . 25.0 113.713 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -175.31 32.45 0.09 OUTLIER Glycine 0 C--N 1.323 -0.162 0 N-CA-C 109.385 -1.486 . . . . 25.0 109.385 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -100.51 142.97 31.24 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 113.996 -1.102 . . . . 25.0 111.261 -176.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 55.1 mt -133.99 138.18 45.25 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 124.154 0.982 . . . . 25.0 108.372 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -89.65 104.24 16.82 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 106.966 -1.494 . . . . 25.0 106.966 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -80.65 -32.46 36.13 Favored 'General case' 0 CA--C 1.485 -1.522 0 CA-C-N 114.835 -1.075 . . . . 25.0 109.438 -176.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 2.6 mtt -65.97 -30.44 71.01 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 108.826 -0.805 . . . . 25.0 108.826 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.5 t -85.38 -17.75 35.77 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 114.075 1.139 . . . . 25.0 114.075 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . 0.428 ' HB2' ' HG3' ' A' ' 864' ' ' MET . 8.1 t80 -58.49 -34.61 71.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.092 0.472 . . . . 25.0 111.911 -177.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 21.1 t -56.16 -29.11 60.34 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 112.612 0.597 . . . . 25.0 112.612 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 14.1 t -110.08 -2.08 17.18 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.046 1.128 . . . . 25.0 114.046 -178.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -156.16 129.39 8.11 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.626 -0.671 . . . . 25.0 112.407 -178.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -142.23 149.03 39.1 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 106.659 -1.608 . . . . 25.0 106.659 175.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -122.28 -14.81 7.83 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 115.199 1.555 . . . . 25.0 115.199 -175.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -103.21 28.61 14.97 Favored Glycine 0 C--O 1.222 -0.613 0 N-CA-C 115.339 0.896 . . . . 25.0 115.339 -177.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -66.52 136.15 55.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 117.912 0.856 . . . . 25.0 110.012 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 24.0 p -163.05 168.67 20.65 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.883 0.327 . . . . 25.0 111.883 -174.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -73.24 -17.44 61.34 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 108.204 -1.035 . . . . 25.0 108.204 172.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 65.5 tp . . . . . 0 C--O 1.258 1.533 0 CA-C-O 116.883 -1.532 . . . . 25.0 109.713 177.72 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.762 0 N-CA-C 111.437 -0.665 . . . . 25.0 111.437 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 42.0 m -72.05 175.53 5.86 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 113.25 0.834 . . . . 25.0 113.25 -179.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 31.1 t -148.22 154.68 40.41 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 101.384 -3.561 . . . . 25.0 101.384 176.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 5.5 mt -72.97 115.1 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 123.595 1.664 . . . . 25.0 115.452 -175.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . 0.416 ' H ' ' HB2' ' A' ' 747' ' ' GLN . 31.3 m -95.59 176.97 5.96 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 111.217 -2.72 . . . . 25.0 106.15 170.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -63.17 -36.55 83.99 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 120.851 -1.155 . . . . 25.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . 0.507 ' CD ' ' H ' ' A' ' 746' ' ' GLU . 2.0 mp0 -66.18 -42.37 88.99 Favored 'General case' 0 CA--C 1.499 -1.001 0 C-N-CA 124.815 1.246 . . . . 25.0 108.631 -178.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 747' ' ' GLN . . . . . 0.416 ' HB2' ' H ' ' A' ' 744' ' ' SER . 0.4 OUTLIER -58.73 -60.42 3.86 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 113.921 -1.49 . . . . 25.0 112.326 177.312 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.02 -26.32 60.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.267 -0.896 . . . . 25.0 111.303 178.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.28 -52.87 51.44 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.274 -0.421 . . . . 25.0 111.291 179.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -68.84 -33.28 73.55 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.167 -0.679 . . . . 25.0 109.167 -178.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -60.49 -46.79 88.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.254 0.549 . . . . 25.0 110.614 176.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 13.0 mtp85 -68.32 -40.38 81.66 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 116.472 -0.331 . . . . 25.0 110.32 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.52 -40.32 92.83 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.882 -0.327 . . . . 25.0 111.45 -178.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 45.9 m -65.16 -44.54 88.21 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 117.824 0.284 . . . . 25.0 110.869 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -41.05 96.33 Favored 'General case' 0 C--O 1.21 -0.985 0 N-CA-C 108.917 -0.772 . . . . 25.0 108.917 177.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.47 -33.56 73.09 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.783 0.66 . . . . 25.0 112.783 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -66.71 -34.42 77.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.089 0.471 . . . . 25.0 110.238 -178.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -90.93 -35.03 14.96 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 115.986 -0.552 . . . . 25.0 110.122 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . 0.455 ' HA ' HD21 ' A' ' 766' ' ' LEU . 50.5 t0 -92.99 70.62 4.6 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-O 122.204 1.002 . . . . 25.0 108.899 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -79.37 -0.77 34.04 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.693 -1.139 . . . . 25.0 110.565 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -90.36 -11.47 40.53 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 107.132 -1.433 . . . . 25.0 107.132 174.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 51.15 35.35 13.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.423 -1.262 . . . . 25.0 113.027 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 90.7 p -74.47 -20.82 59.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.778 -0.646 . . . . 25.0 110.518 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 96.55 0.44 60.91 Favored Glycine 0 C--O 1.243 0.658 0 N-CA-C 110.0 -1.24 . . . . 25.0 110.0 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 3.1 p -145.06 160.63 41.09 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 123.263 0.625 . . . . 25.0 110.963 -176.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 766' ' ' LEU . . . . . 0.472 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 22.5 mt -141.26 175.03 9.97 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 107.187 -1.412 . . . . 25.0 107.187 175.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -84.59 -179.41 51.38 Favored Glycine 0 C--O 1.241 0.593 0 N-CA-C 110.043 -1.223 . . . . 25.0 110.043 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.97 -31.43 19.63 Favored 'Trans proline' 0 CA--C 1.528 0.217 0 N-CA-C 115.153 1.174 . . . . 25.0 115.153 -175.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -84.88 -33.63 22.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.506 0.669 . . . . 25.0 109.611 -177.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 58.5 mp0 -63.93 -55.79 20.02 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.571 -0.74 . . . . 25.0 109.781 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 771' ' ' PHE . . . . . 0.472 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.4 OUTLIER -59.89 -31.08 69.47 Favored 'General case' 0 C--O 1.213 -0.835 0 N-CA-C 113.071 0.767 . . . . 25.0 113.071 173.791 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt -65.2 -45.97 82.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 119.033 0.833 . . . . 25.0 109.801 177.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.28 -25.66 62.54 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.176 0.512 . . . . 25.0 110.826 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 52.5 t -61.67 -36.19 80.13 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.624 -0.51 . . . . 25.0 109.624 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 11.9 mt -66.92 -33.03 74.7 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 121.471 0.653 . . . . 25.0 111.588 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 68.8 mt -58.55 -33.53 48.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-O 121.32 0.581 . . . . 25.0 110.046 -177.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 1.2 m -60.35 -23.59 64.38 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 122.97 0.508 . . . . 25.0 112.196 178.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 15.5 mt -93.92 -18.96 21.39 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 116.033 -0.53 . . . . 25.0 111.555 -178.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 118.4 36.76 0.9 Allowed Glycine 0 C--O 1.221 -0.687 0 CA-C-N 116.005 -0.543 . . . . 25.0 114.434 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -103.78 130.1 51.27 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.153 -0.616 . . . . 25.0 109.339 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -84.31 52.21 2.29 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 121.968 0.89 . . . . 25.0 110.795 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 44.5 mt -126.01 77.08 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 108.209 -1.034 . . . . 25.0 108.209 -176.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -125.11 52.76 0.79 Allowed Glycine 0 C--O 1.224 -0.513 0 CA-C-N 115.844 -0.616 . . . . 25.0 114.004 -176.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 68.59 12.27 8.63 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.781 1.232 . . . . 25.0 111.729 -177.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -67.2 155.8 89.66 Favored Pre-proline 0 C--N 1.32 -0.707 0 N-CA-C 106.556 -1.646 . . . . 25.0 106.556 174.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.61 -20.01 36.11 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 113.359 -3.961 . . . . 25.0 113.142 -177.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -81.63 -37.2 27.91 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 107.864 -1.161 . . . . 25.0 107.864 177.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -64.26 -48.61 72.79 Favored Glycine 0 C--O 1.21 -1.365 0 N-CA-C 109.797 -1.321 . . . . 25.0 109.797 178.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.83 -33.56 70.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 118.387 1.094 . . . . 25.0 112.378 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.48 -36.77 84.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.683 0.278 . . . . 25.0 111.04 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -94.2 -17.37 22.78 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-O 121.899 0.856 . . . . 25.0 111.823 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -73.87 -32.42 63.62 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 107.203 -1.406 . . . . 25.0 107.203 174.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.65 -33.78 71.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.046 -0.524 . . . . 25.0 111.836 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 40.0 ptt85 -81.4 -30.06 33.73 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 108.273 -1.01 . . . . 25.0 108.273 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.448 HG23 ' CE2' ' A' ' 815' ' ' PHE . 40.4 mt -68.75 -51.06 49.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.916 -0.402 . . . . 25.0 109.916 -177.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 19.2 ptt? -60.04 -26.02 65.79 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.234 0.457 . . . . 25.0 112.234 -178.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 46.8 m -77.98 -20.33 52.83 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.211 0.448 . . . . 25.0 112.211 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 67.3 mt -93.72 -46.57 13.73 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.59 0 CA-C-O 121.348 0.594 . . . . 25.0 110.354 -176.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.42 ' HB ' HG13 ' A' ' 807' ' ' VAL . 32.8 m -74.83 -12.97 15.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.73 -0.668 . . . . 25.0 112.524 -176.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -150.56 70.69 8.93 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.582 -0.736 . . . . 25.0 111.242 -176.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -74.18 -13.44 23.4 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 117.178 -1.415 . . . . 25.0 112.373 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.38 -5.81 59.27 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.526 -0.307 . . . . 25.0 110.914 -178.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 57.49 45.82 18.98 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 123.712 0.805 . . . . 25.0 112.269 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 82.6 mt -70.93 -24.75 62.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.707 -1.133 . . . . 25.0 108.895 176.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.33 18.1 61.24 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.528 -0.76 . . . . 25.0 111.995 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 16.2 m -145.51 159.71 12.7 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 N-CA-C 109.179 -0.674 . . . . 25.0 109.179 -176.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 807' ' ' VAL . . . . . 0.42 HG13 ' HB ' ' A' ' 799' ' ' VAL . 12.0 t -131.33 132.0 63.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.842 -0.617 . . . . 25.0 109.882 -179.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 6.7 t -97.47 158.93 15.22 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 109.685 -0.487 . . . . 25.0 109.685 178.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -50.33 -43.53 53.92 Favored 'General case' 0 C--O 1.215 -0.742 0 CA-C-O 121.462 0.649 . . . . 25.0 111.214 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -21.53 60.96 Favored 'General case' 0 C--N 1.318 -0.791 0 O-C-N 121.335 -0.853 . . . . 25.0 110.101 -175.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -77.06 -41.12 43.66 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 119.775 -0.77 . . . . 25.0 110.749 -176.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.435 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.0 OUTLIER -67.49 -29.56 69.02 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 119.194 -1.002 . . . . 25.0 110.332 178.103 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 20.2 mm -63.91 -25.9 39.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 121.058 0.456 . . . . 25.0 110.354 177.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -60.33 -47.69 84.95 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.209 -0.596 . . . . 25.0 110.684 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 815' ' ' PHE . . . . . 0.498 ' HA ' HH11 ' A' ' 818' ' ' ARG . 3.9 p90 -81.31 -23.34 37.92 Favored 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 119.644 -0.822 . . . . 25.0 112.588 -177.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -56.27 -31.95 64.08 Favored 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 120.861 -0.336 . . . . 25.0 111.697 -174.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 36.1 t -62.47 -25.35 67.94 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.255 0.465 . . . . 25.0 112.255 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 818' ' ' ARG . . . . . 0.498 HH11 ' HA ' ' A' ' 815' ' ' PHE . 79.4 mtt85 -86.14 -38.78 17.36 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 122.471 0.309 . . . . 25.0 110.646 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -77.16 -32.45 56.25 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.426 0.528 . . . . 25.0 112.426 -176.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 6.1 t -71.15 8.76 0.88 Allowed 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.758 0.79 . . . . 25.0 112.479 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -61.58 -24.84 66.94 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.116 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -134.43 161.68 34.34 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 108.412 -0.958 . . . . 25.0 108.412 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 26.5 m -159.13 133.08 7.54 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 109.452 -0.573 . . . . 25.0 109.452 -178.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -70.59 154.11 42.19 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 109.834 -0.432 . . . . 25.0 109.834 177.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 65.9 p -96.62 -25.01 15.74 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 115.001 1.482 . . . . 25.0 115.001 -177.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . 0.498 ' O ' HG12 ' A' ' 829' ' ' VAL . . . -89.42 -51.85 5.34 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 114.432 1.271 . . . . 25.0 114.432 -178.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -62.36 -22.64 66.27 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 113.882 1.067 . . . . 25.0 113.882 -172.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -49.34 -41.51 39.0 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.62 0.724 . . . . 25.0 112.07 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . 0.498 HG12 ' O ' ' A' ' 826' ' ' ALA . 6.7 p -68.44 -35.62 71.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.258 -0.883 . . . . 25.0 110.329 -174.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -79.55 -41.31 27.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.835 -0.54 . . . . 25.0 109.676 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.33 -44.16 92.65 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 116.375 -0.375 . . . . 25.0 110.103 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 40.9 m -58.54 -44.11 89.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.945 0.402 . . . . 25.0 110.783 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -63.96 -44.63 92.2 Favored 'General case' 0 C--O 1.204 -1.333 0 N-CA-C 108.799 -0.815 . . . . 25.0 108.799 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -57.87 -31.93 67.19 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.66 0.615 . . . . 25.0 112.66 -176.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 26.0 mt -72.98 -42.54 59.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 N-CA-C 108.678 -0.86 . . . . 25.0 108.678 -177.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.36 -22.85 30.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.439 0.637 . . . . 25.0 112.163 -177.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.464 ' HB2' ' CD1' ' A' ' 843' ' ' ILE . . . -84.92 -13.89 49.39 Favored 'General case' 0 C--O 1.206 -1.2 0 N-CA-C 113.124 0.787 . . . . 25.0 113.124 -178.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -47.38 -27.61 4.16 Favored Glycine 0 C--O 1.227 -0.284 0 N-CA-C 116.719 1.448 . . . . 25.0 116.719 -175.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -73.63 -14.34 61.16 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 117.795 0.798 . . . . 25.0 112.68 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -137.48 -172.71 3.29 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 123.162 0.585 . . . . 25.0 109.436 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -109.65 14.46 23.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 121.813 -0.554 . . . . 25.0 111.245 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -159.92 178.76 9.41 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.541 0.21 . . . . 25.0 110.779 -176.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 837' ' ' ALA . 0.4 OUTLIER -133.58 152.08 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 N-CA-C 108.175 -1.046 . . . . 25.0 108.175 -177.191 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 76.4 p -104.52 164.63 11.61 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 107.799 -1.186 . . . . 25.0 107.799 171.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.93 -35.63 69.28 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.173 -1.376 . . . . 25.0 111.378 177.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -73.35 -42.3 62.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.55 -0.75 . . . . 25.0 110.919 -179.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -61.05 -46.6 90.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.831 -0.622 . . . . 25.0 112.032 -178.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.0 pp -71.11 -26.44 63.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.755 0.312 . . . . 25.0 111.334 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -67.36 -12.97 61.52 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.7 -0.625 . . . . 25.0 111.221 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -62.91 -31.34 72.39 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 109.507 -0.553 . . . . 25.0 109.507 175.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -90.33 -36.7 14.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.012 -0.54 . . . . 25.0 111.728 -174.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.77 77.58 76.08 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.047 -0.524 . . . . 25.0 110.156 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -59.71 -28.7 87.95 Favored 'Trans proline' 0 CA--C 1.554 1.517 0 N-CA-C 119.132 2.705 . . . . 25.0 119.132 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -77.38 -161.03 0.13 Allowed 'Trans proline' 0 C--N 1.363 1.33 0 C-N-CA 114.246 -3.37 . . . . 25.0 112.68 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -55.35 -16.83 3.88 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.304 1.224 . . . . 25.0 114.304 -178.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -51.77 -40.62 60.64 Favored 'General case' 0 N--CA 1.447 -0.611 0 O-C-N 122.052 -0.405 . . . . 25.0 111.842 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.29 97.74 Favored 'General case' 0 C--O 1.206 -1.202 0 C-N-CA 120.919 -0.312 . . . . 25.0 110.475 178.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -68.6 -38.18 80.39 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.014 0.435 . . . . 25.0 110.597 -176.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -66.51 -31.37 72.05 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 175.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 60.1 m -72.89 -44.47 61.25 Favored 'General case' 0 C--O 1.211 -0.969 0 N-CA-C 109.691 -0.485 . . . . 25.0 109.691 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 17.4 mt -60.5 -38.59 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 N-CA-C 109.823 -0.436 . . . . 25.0 109.823 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -63.92 -26.21 68.49 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.569 0.581 . . . . 25.0 112.569 178.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -105.92 -19.39 13.75 Favored 'General case' 0 C--O 1.212 -0.885 0 N-CA-C 113.554 0.946 . . . . 25.0 113.554 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 10.7 ttm -66.35 157.47 31.71 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 108.354 -0.98 . . . . 25.0 108.354 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -84.88 143.02 39.61 Favored Pre-proline 0 C--N 1.314 -0.95 0 N-CA-C 107.638 -1.245 . . . . 25.0 107.638 -176.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -74.69 148.32 36.64 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 CA-C-O 121.584 0.577 . . . . 25.0 112.594 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -111.59 127.33 55.7 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.422 -0.808 . . . . 25.0 113.086 -178.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 2.4 m -131.24 54.75 1.89 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.628 0.728 . . . . 25.0 109.582 178.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -100.94 -168.97 28.4 Favored Glycine 0 CA--C 1.521 0.43 0 CA-C-N 115.736 -0.665 . . . . 25.0 112.909 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -70.52 -28.51 21.5 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 CA-C-N 118.785 1.293 . . . . 25.0 114.626 -178.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -95.52 18.62 12.39 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.58 0.705 . . . . 25.0 109.845 -177.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 81.2 p -72.52 148.04 45.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 122.666 1.222 . . . . 25.0 113.731 -172.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 15.6 m -133.21 161.04 66.17 Favored Pre-proline 0 C--N 1.32 -0.688 0 N-CA-C 105.946 -1.872 . . . . 25.0 105.946 -178.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -60.24 91.36 0.09 OUTLIER 'Trans proline' 0 C--N 1.353 0.77 0 N-CA-C 114.949 1.096 . . . . 25.0 114.949 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 115.52 11.59 10.36 Favored Glycine 0 C--O 1.21 -1.403 0 CA-C-N 115.12 -0.946 . . . . 25.0 113.599 177.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -59.16 146.78 37.67 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 123.836 0.855 . . . . 25.0 109.385 177.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 11.6 mt -133.24 138.31 46.43 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.847 -0.615 . . . . 25.0 109.67 -175.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -90.0 111.07 22.04 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 105.344 -2.095 . . . . 25.0 105.344 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -80.38 -34.64 36.23 Favored 'General case' 0 CA--C 1.505 -0.761 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 -177.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 5.1 mmm -63.51 -29.04 70.37 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.439 0.637 . . . . 25.0 110.01 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 3.3 t -88.03 -12.99 42.75 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.653 0.982 . . . . 25.0 113.653 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -56.26 -43.91 79.19 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.268 0.84 . . . . 25.0 113.268 -177.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 50.8 m -64.36 -8.1 11.99 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 114.122 1.156 . . . . 25.0 114.122 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 32.5 p -109.25 -17.43 13.83 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.214 0.82 . . . . 25.0 113.214 178.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -158.03 144.33 17.45 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.782 0.66 . . . . 25.0 112.782 -177.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 4.3 pp -142.94 154.85 44.48 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 105.746 -1.946 . . . . 25.0 105.746 177.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -128.38 -10.11 5.18 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 115.361 1.615 . . . . 25.0 115.361 -177.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -88.5 13.97 60.88 Favored Glycine 0 CA--C 1.511 -0.183 0 N-CA-C 115.074 0.79 . . . . 25.0 115.074 -176.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 56.5 tt0 -157.17 131.52 8.49 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.998 -1.482 . . . . 25.0 106.998 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 89.8 p -160.82 172.58 16.74 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.968 -0.753 . . . . 25.0 108.968 -178.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -79.82 -30.06 40.38 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.698 0.761 . . . . 25.0 109.51 177.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 C--O 1.255 1.346 0 N-CA-C 105.307 -2.109 . . . . 25.0 105.307 -179.409 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.172 0 CA-C-O 119.262 -0.744 . . . . 25.0 112.514 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 21.7 m -103.78 0.21 30.12 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.342 1.071 . . . . 25.0 111.727 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 12.1 t -79.96 -13.91 58.99 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 121.293 -0.879 . . . . 25.0 112.333 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.56 135.01 29.06 Favored 'Isoleucine or valine' 0 C--O 1.246 0.909 0 N-CA-C 108.817 -0.809 . . . . 25.0 108.817 176.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.67 162.8 18.62 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 108.933 -0.765 . . . . 25.0 108.933 175.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -58.0 -30.43 66.06 Favored 'General case' 0 C--O 1.208 -1.117 0 CA-C-N 118.862 0.755 . . . . 25.0 109.696 175.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -73.65 -40.13 63.97 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 123.544 0.738 . . . . 25.0 110.342 177.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 747' ' ' GLN . . . . . 0.4 ' HA ' HE21 ' A' ' 747' ' ' GLN . 0.2 OUTLIER -61.39 -56.67 17.71 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.593 -0.443 . . . . 25.0 110.508 176.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 2.6 ptm -58.28 -26.17 62.67 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 119.98 -0.688 . . . . 25.0 111.073 179.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.62 -50.46 64.97 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 123.413 0.446 . . . . 25.0 111.173 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -72.44 -31.74 65.72 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 109.309 -0.626 . . . . 25.0 109.309 -178.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -62.15 -50.71 70.78 Favored 'General case' 0 C--O 1.243 0.735 0 N-CA-C 109.928 -0.397 . . . . 25.0 109.928 175.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -65.57 -40.99 93.38 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 120.373 -0.531 . . . . 25.0 111.645 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -70.51 -37.4 74.15 Favored 'General case' 0 C--O 1.21 -0.982 0 O-C-N 123.332 0.395 . . . . 25.0 111.117 -176.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 43.0 m -68.96 -42.36 76.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 119.038 0.835 . . . . 25.0 110.56 178.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.45 -44.55 84.84 Favored 'General case' 0 C--O 1.209 -1.038 0 N-CA-C 108.276 -1.009 . . . . 25.0 108.276 176.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.03 -31.23 65.98 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 115.584 1.698 . . . . 25.0 115.584 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -69.13 -30.77 69.11 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.186 -1.042 . . . . 25.0 108.186 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -91.31 -34.68 14.82 Favored 'General case' 0 CA--C 1.559 1.32 0 N-CA-C 108.373 -0.973 . . . . 25.0 108.373 -178.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . 0.445 ' HA ' HD21 ' A' ' 766' ' ' LEU . 48.3 t0 -92.93 71.88 4.73 Favored 'General case' 0 C--O 1.207 -1.156 0 C-N-CA 123.405 0.682 . . . . 25.0 109.494 -179.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -80.8 -2.09 45.73 Favored 'General case' 0 CA--C 1.496 -1.126 0 CA-C-N 114.358 -1.292 . . . . 25.0 111.533 -178.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -92.69 -16.19 25.81 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 108.426 -0.954 . . . . 25.0 108.426 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 61.17 34.66 18.81 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 113.996 -1.457 . . . . 25.0 112.691 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 69.8 m -74.38 -19.76 60.32 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.58 -0.282 . . . . 25.0 110.887 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 92.77 -0.79 70.51 Favored Glycine 0 C--O 1.243 0.678 0 N-CA-C 109.05 -1.62 . . . . 25.0 109.05 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 17.9 p -146.53 157.49 43.75 Favored 'General case' 0 N--CA 1.438 -1.071 0 O-C-N 124.444 0.732 . . . . 25.0 110.638 -174.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 766' ' ' LEU . . . . . 0.445 HD21 ' HA ' ' A' ' 759' ' ' ASP . 17.0 mt -136.92 170.22 16.46 Favored 'General case' 0 CA--C 1.492 -1.274 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 177.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.63 175.53 54.99 Favored Glycine 0 C--O 1.243 0.693 0 N-CA-C 110.463 -1.055 . . . . 25.0 110.463 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -70.12 -26.82 25.47 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 121.222 1.281 . . . . 25.0 112.274 -176.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -82.42 -38.99 23.26 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.349 -0.611 . . . . 25.0 109.349 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -67.65 -48.77 65.74 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 116.475 -0.329 . . . . 25.0 110.464 -177.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 771' ' ' PHE . . . . . 0.402 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -64.09 -30.53 71.6 Favored 'General case' 0 C--O 1.202 -1.43 0 C-N-CA 119.333 -0.947 . . . . 25.0 111.65 173.71 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -59.8 -46.04 90.45 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 119.363 0.983 . . . . 25.0 109.004 177.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -76.5 -23.17 53.75 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.49 -0.777 . . . . 25.0 111.987 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 42.4 t -61.89 -39.56 92.36 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 109.487 -0.56 . . . . 25.0 109.487 177.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 18.2 mt -63.76 -29.47 70.67 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-O 121.506 0.67 . . . . 25.0 111.982 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 66.3 mt -61.0 -33.21 54.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.365 -0.379 . . . . 25.0 110.11 -176.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 80.5 p -67.88 -17.74 64.58 Favored 'General case' 0 C--O 1.211 -0.942 0 C-N-CA 120.368 -0.533 . . . . 25.0 112.27 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 13.4 mt -91.85 -14.36 29.86 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.642 0.734 . . . . 25.0 109.912 177.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 117.5 23.55 3.72 Favored Glycine 0 C--O 1.226 -0.394 0 N-CA-C 115.019 0.768 . . . . 25.0 115.019 177.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -94.41 137.01 34.06 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.552 -0.969 . . . . 25.0 110.193 -176.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -88.13 46.39 1.38 Allowed 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 121.932 0.872 . . . . 25.0 113.32 -178.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 14.0 mt -110.88 66.29 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-O 122.458 1.123 . . . . 25.0 108.393 -177.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -99.95 42.38 1.98 Allowed Glycine 0 C--N 1.318 -0.418 0 CA-C-N 115.002 -0.999 . . . . 25.0 115.383 -171.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 43.4 t30 63.26 27.03 15.37 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 122.897 1.332 . . . . 25.0 110.475 -177.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -96.15 156.56 36.9 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 106.787 -1.56 . . . . 25.0 106.787 176.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -67.15 -18.42 51.07 Favored 'Trans proline' 0 CA--C 1.51 -0.703 0 C-N-CA 116.908 -1.595 . . . . 25.0 114.906 -177.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -78.31 -40.1 37.76 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 106.694 -1.595 . . . . 25.0 106.694 177.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -67.35 -43.18 88.83 Favored Glycine 0 CA--C 1.5 -0.844 0 N-CA-C 110.741 -0.943 . . . . 25.0 110.741 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -59.74 -32.49 70.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.524 -0.986 . . . . 25.0 111.579 178.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -66.01 -35.6 81.0 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-O 120.795 0.331 . . . . 25.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -90.93 -17.05 27.05 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.921 -0.487 . . . . 25.0 109.976 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -79.38 -34.43 41.96 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 108.944 -0.761 . . . . 25.0 108.944 175.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.0 -32.32 69.59 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 122.025 -0.422 . . . . 25.0 112.057 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 4.9 ptt85 -83.58 -28.08 28.79 Favored 'General case' 0 C--O 1.211 -0.938 0 N-CA-C 109.88 -0.415 . . . . 25.0 109.88 177.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 47.5 mt -68.29 -47.93 75.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 O-C-N 122.098 -0.376 . . . . 25.0 110.318 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 12.4 ptt? -60.1 -27.55 67.11 Favored 'General case' 0 C--O 1.208 -1.113 0 O-C-N 121.997 -0.439 . . . . 25.0 111.74 -177.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 52.3 m -78.66 -16.04 57.78 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.438 -0.505 . . . . 25.0 111.735 -178.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 77.6 mt -92.65 -44.64 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.036 0 N-CA-C 109.455 -0.572 . . . . 25.0 109.455 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.457 ' HB ' HG13 ' A' ' 807' ' ' VAL . 22.3 m -82.76 -12.36 12.15 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 O-C-N 123.998 0.811 . . . . 25.0 111.704 -174.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -155.31 66.02 4.65 Favored Pre-proline 0 CA--C 1.557 1.214 0 CA-C-O 122.054 0.931 . . . . 25.0 111.431 -176.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -71.26 -13.96 31.13 Favored 'Trans proline' 0 CA--C 1.542 0.895 0 C-N-CA 115.202 -2.732 . . . . 25.0 112.867 178.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.24 -8.88 59.83 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 123.435 0.459 . . . . 25.0 110.151 -179.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 46.4 mmm-85 59.55 41.87 18.35 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 123.683 0.793 . . . . 25.0 111.748 178.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 82.5 mt -67.77 -25.58 65.68 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.067 0.947 . . . . 25.0 109.172 176.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 86.91 18.15 58.47 Favored Glycine 0 N--CA 1.436 -1.335 0 CA-C-N 115.068 -0.969 . . . . 25.0 112.218 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 16.3 m -143.93 154.56 15.71 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.6 0 N-CA-C 107.384 -1.339 . . . . 25.0 107.384 -176.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 807' ' ' VAL . . . . . 0.457 HG13 ' HB ' ' A' ' 799' ' ' VAL . 17.8 t -132.86 133.49 58.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 115.349 -0.842 . . . . 25.0 108.926 -177.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.31 158.57 15.39 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 108.177 -1.045 . . . . 25.0 108.177 -178.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -50.57 -43.89 56.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.918 0.866 . . . . 25.0 112.67 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -29.73 70.11 Favored 'General case' 0 C--O 1.211 -0.931 0 CA-C-N 115.857 -0.61 . . . . 25.0 110.934 -178.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -72.35 -41.73 66.1 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 119.619 -0.833 . . . . 25.0 112.187 -174.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.441 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 0.6 OUTLIER -66.86 -32.61 73.99 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 118.714 -1.194 . . . . 25.0 110.107 176.269 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 24.2 mm -64.55 -30.48 50.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 108.566 -0.902 . . . . 25.0 108.566 176.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -59.52 -39.98 85.64 Favored 'General case' 0 C--N 1.312 -1.047 0 C-N-CA 120.38 -0.528 . . . . 25.0 110.902 -176.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 815' ' ' PHE . . . . . 0.441 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 2.6 p90 -85.92 -23.99 26.77 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 119.762 -0.775 . . . . 25.0 112.499 176.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.16 -34.72 79.06 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 106.507 -1.664 . . . . 25.0 106.507 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 6.6 t -67.71 -22.43 65.26 Favored 'General case' 0 C--O 1.212 -0.893 0 N-CA-C 112.591 0.589 . . . . 25.0 112.591 177.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -84.08 -25.12 30.04 Favored 'General case' 0 C--O 1.211 -0.941 0 N-CA-C 109.192 -0.67 . . . . 25.0 109.192 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -76.81 -35.07 57.86 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 108.358 -0.978 . . . . 25.0 108.358 176.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 40.6 m -75.33 -37.42 60.75 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.124 -0.944 . . . . 25.0 109.597 177.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . 57.62 31.56 20.55 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.671 1.359 . . . . 25.0 114.671 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -76.38 149.49 36.93 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 109.0 -0.741 . . . . 25.0 109.0 179.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 51.1 p -122.18 37.8 4.29 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.703 1.001 . . . . 25.0 113.703 -173.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -60.53 146.73 43.93 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 121.752 0.787 . . . . 25.0 113.069 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 2.9 p -63.89 -24.84 67.89 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.733 -0.604 . . . . 25.0 112.061 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -69.04 -27.27 65.5 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 122.024 -0.422 . . . . 25.0 110.47 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -64.79 -30.14 71.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.679 0.752 . . . . 25.0 111.171 -177.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -57.51 -50.72 72.16 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-O 122.557 1.17 . . . . 25.0 111.792 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 11.0 p -76.79 -26.91 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 N-CA-C 108.131 -1.062 . . . . 25.0 108.131 -177.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . 0.409 ' SD ' ' HB2' ' A' ' 883' ' ' SER . 0.0 OUTLIER -66.66 -35.54 80.39 Favored 'General case' 0 C--O 1.207 -1.167 0 O-C-N 121.582 -0.699 . . . . 25.0 111.787 179.612 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -57.23 -39.39 75.42 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.973 -0.558 . . . . 25.0 110.597 177.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 97.6 p -64.6 -45.48 86.76 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.518 -0.739 . . . . 25.0 110.703 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -64.51 -41.1 96.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 118.134 0.425 . . . . 25.0 110.378 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -57.8 -32.27 67.38 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-O 121.432 0.634 . . . . 25.0 111.882 -175.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 69.8 mt -65.12 -42.26 93.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 108.763 -0.828 . . . . 25.0 108.763 -178.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.22 -24.68 23.2 Favored 'General case' 0 C--O 1.211 -0.96 0 C-N-CA 120.666 -0.414 . . . . 25.0 111.851 -177.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.613 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -89.03 -5.97 57.52 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 112.838 0.681 . . . . 25.0 112.838 -175.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -55.04 -27.87 46.95 Favored Glycine 0 C--N 1.338 0.658 0 N-CA-C 115.612 1.005 . . . . 25.0 115.612 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -71.64 -16.13 62.26 Favored 'General case' 0 C--O 1.211 -0.946 0 O-C-N 121.792 -0.828 . . . . 25.0 111.63 176.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -130.85 -159.84 1.0 Allowed 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 121.053 0.454 . . . . 25.0 110.429 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -125.69 14.42 8.09 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 172.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -154.05 176.84 11.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.471 -0.786 . . . . 25.0 110.163 -178.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . 0.613 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.3 OUTLIER -137.38 152.97 28.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.309 -0.997 . . . . 25.0 108.309 -175.569 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 34.6 p -103.47 162.17 13.26 Favored 'General case' 0 C--N 1.314 -0.951 0 O-C-N 121.048 -1.032 . . . . 25.0 111.9 173.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 75.6 mtm -59.81 -29.75 68.44 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 114.556 -1.202 . . . . 25.0 111.099 176.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -79.01 -39.8 33.11 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 122.969 1.366 . . . . 25.0 110.52 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -64.78 -47.05 79.54 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 114.812 -1.086 . . . . 25.0 112.89 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.4 pp -68.48 -17.1 64.11 Favored 'General case' 0 CA--C 1.55 0.97 0 O-C-N 121.25 -0.906 . . . . 25.0 109.572 -178.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.61 -16.62 63.42 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 109.85 -0.426 . . . . 25.0 109.85 177.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -75.21 -24.84 57.8 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.2 0.454 . . . . 25.0 110.168 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -82.65 -46.69 12.94 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 115.433 -0.803 . . . . 25.0 110.436 -178.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.55 84.25 56.04 Favored Pre-proline 0 CA--C 1.546 0.801 0 CA-C-N 115.476 -0.784 . . . . 25.0 109.348 -177.129 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -63.22 -23.11 72.73 Favored 'Trans proline' 0 CA--C 1.55 1.288 0 N-CA-C 118.589 2.496 . . . . 25.0 118.589 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -78.23 -168.62 0.63 Allowed 'Trans proline' 0 C--N 1.365 1.422 1 C-N-CA 112.794 -4.337 . . . . 25.0 112.051 176.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -50.33 -16.5 0.34 Allowed 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 116.037 1.866 . . . . 25.0 116.037 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -53.31 -38.32 63.07 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 121.921 -0.487 . . . . 25.0 111.426 175.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.88 -38.87 92.7 Favored 'General case' 0 C--O 1.21 -0.978 0 C-N-CA 120.462 -0.495 . . . . 25.0 111.895 174.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -68.1 -39.28 82.86 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.868 0.842 . . . . 25.0 109.086 -177.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -67.47 -30.65 70.42 Favored 'General case' 0 CA--C 1.518 -0.285 0 O-C-N 121.885 -0.51 . . . . 25.0 110.606 175.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 51.8 m -73.24 -45.41 56.14 Favored 'General case' 0 C--O 1.211 -0.937 0 N-CA-C 108.48 -0.933 . . . . 25.0 108.48 178.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 21.6 mt -60.45 -38.5 78.16 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.134 0 CA-C-N 118.605 0.638 . . . . 25.0 110.252 178.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.93 -8.08 20.38 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 114.053 1.131 . . . . 25.0 114.053 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -121.53 -37.12 2.94 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.994 -0.441 . . . . 25.0 111.796 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . 0.455 ' HG3' ' HB2' ' A' ' 882' ' ' PHE . 41.7 ttm -61.63 141.34 57.87 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 122.027 0.918 . . . . 25.0 113.031 -175.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -71.07 141.68 86.77 Favored Pre-proline 0 C--N 1.317 -0.832 0 CA-C-N 115.227 -0.897 . . . . 25.0 112.037 -172.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -73.46 151.79 48.2 Favored 'Trans proline' 0 CA--C 1.513 -0.544 0 CA-C-O 121.87 0.696 . . . . 25.0 112.836 176.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -109.45 142.3 40.65 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.586 -0.734 . . . . 25.0 111.303 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 9.9 t -141.88 135.0 29.06 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 103.276 -2.861 . . . . 25.0 103.276 173.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 173.09 -174.24 45.86 Favored Glycine 0 C--N 1.34 0.769 0 C-N-CA 119.851 -1.166 . . . . 25.0 110.549 -176.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -67.94 -31.64 30.53 Favored 'Trans proline' 0 C--N 1.347 0.492 0 CA-C-N 119.276 1.538 . . . . 25.0 114.803 -178.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -98.53 20.17 13.27 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 122.287 1.042 . . . . 25.0 109.339 -176.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 53.8 p -76.42 156.31 33.25 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 123.718 1.723 . . . . 25.0 114.602 -174.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 3.9 m -138.49 161.19 60.25 Favored Pre-proline 0 C--N 1.308 -1.214 0 N-CA-C 103.587 -2.745 . . . . 25.0 103.587 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -71.7 12.24 0.57 Allowed 'Trans proline' 0 C--N 1.369 1.617 0 N-CA-C 114.975 1.106 . . . . 25.0 114.975 -176.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -138.65 36.52 1.89 Allowed Glycine 0 C--O 1.218 -0.861 0 N-CA-C 109.815 -1.314 . . . . 25.0 109.815 174.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -95.04 139.82 30.86 Favored 'General case' 0 C--O 1.259 1.574 0 C-N-CA 123.09 0.556 . . . . 25.0 109.749 -178.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 57.5 mt -134.95 140.53 45.8 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 107.382 -1.34 . . . . 25.0 107.382 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -89.7 101.21 13.9 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 106.531 -1.655 . . . . 25.0 106.531 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -69.63 -38.05 77.03 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-N 115.158 -0.928 . . . . 25.0 109.291 -177.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 1.1 mmt -62.54 -26.95 68.83 Favored 'General case' 0 C--N 1.316 -0.853 0 O-C-N 121.281 -0.887 . . . . 25.0 109.26 -178.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 8.9 t -79.51 -28.71 41.39 Favored 'General case' 0 C--N 1.346 0.418 0 N-CA-C 113.899 1.074 . . . . 25.0 113.899 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . 0.455 ' HB2' ' HG3' ' A' ' 864' ' ' MET . 14.8 t80 -60.08 -36.56 77.65 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 113.661 0.986 . . . . 25.0 113.661 -177.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . 0.409 ' HB2' ' SD ' ' A' ' 830' ' ' MET . 22.3 t -58.86 -30.2 67.54 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.795 -0.762 . . . . 25.0 112.165 176.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 33.9 p -99.54 -18.23 17.49 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 121.415 -0.803 . . . . 25.0 113.138 -176.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -154.52 137.37 15.36 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 112.829 0.677 . . . . 25.0 112.829 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -142.05 152.22 43.14 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 104.163 -2.532 . . . . 25.0 104.163 176.281 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -121.41 -8.11 9.17 Favored 'General case' 0 C--O 1.196 -1.741 0 O-C-N 123.269 0.356 . . . . 25.0 111.024 -175.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -80.74 98.9 1.84 Allowed Glycine 0 CA--C 1.505 -0.537 0 N-CA-C 108.616 -1.794 . . . . 25.0 108.616 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 49.5 mp0 -52.78 151.25 4.6 Favored 'General case' 0 C--O 1.21 -0.986 0 CA-C-N 113.402 -1.399 . . . . 25.0 112.755 178.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 47.8 m -65.65 138.73 58.19 Favored 'General case' 0 C--O 1.242 0.691 0 N-CA-C 113.944 1.09 . . . . 25.0 113.944 -174.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -76.78 -17.6 58.94 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.261 0.553 . . . . 25.0 110.805 -178.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 5.1 tt . . . . . 0 C--O 1.248 1.002 0 N-CA-C 105.845 -1.909 . . . . 25.0 105.845 -179.858 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.907 0 CA-C-O 119.343 -0.698 . . . . 25.0 111.82 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 52.6 p -154.03 -177.96 6.76 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 105.989 -1.856 . . . . 25.0 105.989 178.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 75.2 p -133.83 150.29 51.4 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 106.718 -1.586 . . . . 25.0 106.718 177.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 1.4 mt -64.49 132.36 30.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.663 0.744 . . . . 25.0 111.19 -178.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 31.4 m -85.77 167.78 14.92 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.399 -1.334 . . . . 25.0 107.399 175.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -61.6 -36.85 81.86 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 120.844 -1.16 . . . . 25.0 110.692 178.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -72.21 -22.11 61.31 Favored 'General case' 0 C--O 1.217 -0.651 0 C-N-CA 122.543 0.337 . . . . 25.0 110.583 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.25 -56.73 4.55 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 109.477 -0.564 . . . . 25.0 109.477 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 19.4 ptp -57.72 -25.11 59.92 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 119.703 -0.799 . . . . 25.0 110.917 178.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.57 -54.21 43.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.873 -0.603 . . . . 25.0 109.995 178.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -72.55 -33.59 66.93 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.856 -0.424 . . . . 25.0 109.856 -177.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -60.34 -43.11 96.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.056 0.455 . . . . 25.0 110.567 176.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 2.4 mtp85 -70.87 -41.85 70.84 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.611 -0.515 . . . . 25.0 109.611 178.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.14 93.51 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 113.234 0.828 . . . . 25.0 113.234 -178.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 10.3 t -68.56 -41.88 79.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 118.316 0.507 . . . . 25.0 109.916 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -40.57 94.61 Favored 'General case' 0 C--O 1.206 -1.209 0 N-CA-C 108.032 -1.099 . . . . 25.0 108.032 177.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.47 -29.21 65.7 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.75 1.018 . . . . 25.0 113.75 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -71.52 -35.31 70.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.237 0.541 . . . . 25.0 110.307 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -90.68 -37.53 13.68 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 115.949 -0.568 . . . . 25.0 109.982 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -91.67 70.49 5.77 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -74.19 -5.87 44.45 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.925 -1.034 . . . . 25.0 110.742 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -88.63 -14.21 38.01 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.425 -0.954 . . . . 25.0 108.425 177.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 54.03 36.89 25.67 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 114.458 -1.247 . . . . 25.0 113.03 -179.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 89.9 p -72.62 -21.77 61.06 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.74 -0.663 . . . . 25.0 109.91 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 97.9 -1.8 59.74 Favored Glycine 0 C--O 1.244 0.77 0 N-CA-C 111.204 -0.758 . . . . 25.0 111.204 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 3.9 p -146.43 161.9 39.41 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 123.216 0.607 . . . . 25.0 110.779 -176.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 766' ' ' LEU . . . . . 0.47 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 20.0 mt -143.29 173.41 11.62 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.841 -0.8 . . . . 25.0 108.841 176.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -78.49 175.07 54.99 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.897 -0.881 . . . . 25.0 110.897 -179.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -65.02 -34.85 45.65 Favored 'Trans proline' 0 C--O 1.215 -0.634 0 C-N-CA 121.683 1.589 . . . . 25.0 113.52 -177.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -81.87 -35.5 29.22 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 121.044 -0.262 . . . . 25.0 111.113 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . 0.4 ' HB2' ' HB3' ' A' ' 766' ' ' LEU . 74.7 mm-40 -64.26 -51.46 63.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.08 0.467 . . . . 25.0 110.041 -178.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 771' ' ' PHE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.2 OUTLIER -63.82 -25.4 68.16 Favored 'General case' 0 C--O 1.215 -0.763 0 O-C-N 121.536 -0.728 . . . . 25.0 112.778 174.599 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -70.66 -42.3 70.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 118.377 0.535 . . . . 25.0 110.172 177.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -73.06 -23.75 60.6 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.919 0.866 . . . . 25.0 110.571 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 14.0 t -64.74 -31.04 72.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.524 -0.762 . . . . 25.0 109.322 175.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . 0.431 ' HB3' ' CG ' ' A' ' 780' ' ' TYR . 14.7 mt -72.3 -33.84 67.71 Favored 'General case' 0 CA--C 1.51 -0.593 0 O-C-N 121.906 -0.496 . . . . 25.0 110.404 177.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.5 mt -58.31 -34.87 51.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.34 -0.615 . . . . 25.0 109.34 -178.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 49.8 m -62.92 -18.11 62.67 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 19.2 mt -94.61 -24.19 17.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.137 0.494 . . . . 25.0 109.946 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 126.17 26.66 1.19 Allowed Glycine 0 C--O 1.224 -0.525 0 N-CA-C 115.023 0.769 . . . . 25.0 115.023 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 780' ' ' TYR . . . . . 0.431 ' CG ' ' HB3' ' A' ' 775' ' ' LEU . 10.4 m-85 -94.44 135.13 36.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 117.93 0.865 . . . . 25.0 108.751 -178.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -88.07 48.95 1.71 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 122.277 1.037 . . . . 25.0 110.557 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 41.5 mt -119.17 79.88 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 115.398 -0.819 . . . . 25.0 109.565 -175.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -120.32 45.32 1.25 Allowed Glycine 0 C--O 1.226 -0.358 0 CA-C-N 115.51 -0.768 . . . . 25.0 112.896 -176.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 68.99 16.6 8.73 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.718 1.207 . . . . 25.0 111.515 -178.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -68.54 161.18 72.3 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 107.421 -1.325 . . . . 25.0 107.421 174.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -67.55 -24.93 41.49 Favored 'Trans proline' 0 C--N 1.35 0.644 1 C-N-CA 113.016 -4.189 . . . . 25.0 112.753 -178.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -76.97 -41.2 44.02 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 108.129 -1.063 . . . . 25.0 108.129 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -61.74 -47.36 90.81 Favored Glycine 0 C--O 1.211 -1.298 0 N-CA-C 110.135 -1.186 . . . . 25.0 110.135 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.88 -29.01 70.24 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 120.987 -1.302 . . . . 25.0 112.608 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -65.23 -44.19 89.02 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.558 -0.534 . . . . 25.0 109.558 178.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -85.49 -19.06 31.79 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-O 122.152 0.977 . . . . 25.0 109.947 -175.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -77.87 -29.23 50.23 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 175.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -62.12 -34.97 77.33 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 120.896 0.379 . . . . 25.0 110.91 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.38 -32.45 48.89 Favored 'General case' 0 C--O 1.215 -0.745 0 N-CA-C 107.758 -1.201 . . . . 25.0 107.758 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 42.8 mt -66.75 -50.72 63.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.866 -0.42 . . . . 25.0 109.866 -176.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 20.1 ptt? -60.68 -26.14 66.89 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-O 120.865 0.364 . . . . 25.0 111.621 -178.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 44.1 m -78.87 -19.01 52.97 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.484 0.55 . . . . 25.0 112.484 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 67.3 mt -96.38 -45.79 12.97 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.634 0 CA-C-O 121.181 0.515 . . . . 25.0 110.734 -177.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.408 ' HB ' HG13 ' A' ' 807' ' ' VAL . 28.5 m -76.6 -14.67 14.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 120.948 0.404 . . . . 25.0 111.769 -177.074 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -150.95 68.89 8.3 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.455 -0.793 . . . . 25.0 111.882 -176.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -72.55 -14.52 27.6 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 118.013 -0.858 . . . . 25.0 112.064 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -86.66 -6.03 58.96 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 116.487 -0.324 . . . . 25.0 111.232 -178.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 57.98 46.12 17.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.765 0.793 . . . . 25.0 111.618 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 85.8 mt -72.14 -23.09 61.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.471 -1.241 . . . . 25.0 109.093 176.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.01 19.06 59.92 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.656 -0.702 . . . . 25.0 111.62 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 19.9 m -144.22 156.57 15.36 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 CA-C-O 121.179 0.514 . . . . 25.0 110.166 -176.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 807' ' ' VAL . . . . . 0.408 HG13 ' HB ' ' A' ' 799' ' ' VAL . 11.9 t -130.76 131.82 64.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.17 -0.678 . . . . 25.0 109.17 179.101 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 9.0 t -99.01 160.06 14.52 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.057 -0.349 . . . . 25.0 110.057 178.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -49.91 -44.39 50.16 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-O 121.502 0.667 . . . . 25.0 111.034 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.38 -20.85 60.65 Favored 'General case' 0 C--N 1.315 -0.899 0 O-C-N 121.48 -0.762 . . . . 25.0 111.0 -175.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -76.52 -40.35 50.29 Favored 'General case' 0 C--O 1.216 -0.679 0 C-N-CA 119.997 -0.681 . . . . 25.0 110.678 -177.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.441 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 0.8 OUTLIER -69.5 -30.54 68.43 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 119.102 -1.039 . . . . 25.0 109.787 178.48 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 20.9 mm -64.13 -26.96 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 121.355 0.597 . . . . 25.0 110.282 176.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -63.19 -43.44 98.17 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 121.566 -0.709 . . . . 25.0 109.806 -179.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 815' ' ' PHE . . . . . 0.441 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.1 p90 -82.16 -23.59 35.47 Favored 'General case' 0 C--O 1.218 -0.577 0 C-N-CA 119.598 -0.841 . . . . 25.0 112.256 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.06 -32.89 74.37 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.823 -1.177 . . . . 25.0 107.823 -178.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 25.5 t -65.35 -28.8 69.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.65 0.738 . . . . 25.0 110.857 178.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -85.97 -32.73 21.38 Favored 'General case' 0 C--O 1.214 -0.771 0 C-N-CA 122.92 0.488 . . . . 25.0 111.167 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -73.78 -34.41 64.66 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-O 121.054 0.454 . . . . 25.0 112.133 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 14.1 t -73.23 -11.78 60.63 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.921 -1.112 . . . . 25.0 109.083 176.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -88.72 -48.94 7.16 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.338 0.496 . . . . 25.0 112.338 -177.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -159.48 169.8 23.11 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.733 0.646 . . . . 25.0 109.581 -176.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 39.4 m -125.07 124.69 42.45 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 109.046 -0.724 . . . . 25.0 109.046 178.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -69.02 115.85 8.79 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.706 0.765 . . . . 25.0 112.127 -178.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 74.1 p -70.33 -22.38 62.82 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.845 0.683 . . . . 25.0 112.845 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -71.8 -38.42 70.24 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.261 -0.644 . . . . 25.0 109.261 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -63.54 -36.77 84.87 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.389 -0.368 . . . . 25.0 110.342 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -60.04 -50.63 72.98 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.669 0.747 . . . . 25.0 112.052 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 11.3 p -71.58 -30.85 40.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.108 -0.496 . . . . 25.0 109.684 -177.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -39.33 86.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.671 -0.643 . . . . 25.0 110.435 178.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.48 -36.44 78.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.175 -0.466 . . . . 25.0 110.092 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 6.1 t -65.76 -42.67 90.6 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.041 0.386 . . . . 25.0 112.041 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -66.83 -30.28 70.42 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 120.993 -1.067 . . . . 25.0 110.295 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -63.45 -20.59 65.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.957 -0.565 . . . . 25.0 111.53 -179.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 71.2 mt -73.74 -49.03 37.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 108.544 -0.91 . . . . 25.0 108.544 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.93 -27.83 26.29 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.041 -0.663 . . . . 25.0 111.168 -172.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.867 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -94.76 8.09 43.7 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 112.373 0.508 . . . . 25.0 112.373 -178.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -66.29 -22.71 71.24 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 107.718 -2.153 . . . . 25.0 107.718 172.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -64.24 -28.61 69.85 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.611 0.244 . . . . 25.0 110.877 175.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -129.83 -150.91 0.45 Allowed 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 109.098 -0.705 . . . . 25.0 109.098 -178.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -130.11 15.02 5.71 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 109.274 -0.639 . . . . 25.0 109.274 173.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . 0.412 ' HB3' ' CE1' ' A' ' 867' ' ' TYR . 9.2 p90 -158.58 178.76 9.78 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.409 -1.33 . . . . 25.0 107.409 -177.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . 0.867 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.4 OUTLIER -134.74 153.38 34.83 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.817 0 N-CA-C 108.815 -0.809 . . . . 25.0 108.815 -177.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 76.4 p -104.91 162.17 13.57 Favored 'General case' 0 CA--C 1.494 -1.176 0 N-CA-C 108.097 -1.075 . . . . 25.0 108.097 175.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 72.9 mtm -59.1 -33.71 71.16 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.003 -0.999 . . . . 25.0 110.082 176.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -73.47 -41.08 63.6 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.786 -0.643 . . . . 25.0 110.457 -178.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -67.41 -48.02 68.55 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.787 -0.642 . . . . 25.0 111.234 -177.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.6 pp -64.33 -26.19 68.37 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.89 -0.724 . . . . 25.0 110.607 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -71.79 -11.48 60.83 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.714 -0.616 . . . . 25.0 112.251 178.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -68.79 -30.0 68.48 Favored 'General case' 0 C--O 1.22 -0.485 0 O-C-N 121.318 -0.864 . . . . 25.0 108.867 176.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -83.96 -39.49 19.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.595 0.712 . . . . 25.0 110.84 -175.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.52 80.14 72.49 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.545 -0.752 . . . . 25.0 109.5 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -61.08 -27.66 84.67 Favored 'Trans proline' 0 CA--C 1.559 1.729 0 N-CA-C 119.214 2.736 . . . . 25.0 119.214 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -78.72 -159.74 0.11 Allowed 'Trans proline' 0 C--N 1.364 1.354 0 C-N-CA 113.962 -3.559 . . . . 25.0 112.84 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.81 -20.34 2.15 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 114.468 1.284 . . . . 25.0 114.468 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -53.55 -39.41 64.71 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.471 0.545 . . . . 25.0 112.471 176.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.96 -38.76 92.04 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-O 120.899 0.381 . . . . 25.0 110.824 178.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -67.68 -37.8 82.84 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.069 0.461 . . . . 25.0 109.839 -177.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -66.94 -31.71 72.47 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.353 -0.61 . . . . 25.0 109.353 175.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 63.2 m -71.43 -43.04 67.46 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 110.056 -0.35 . . . . 25.0 110.056 178.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 24.7 mt -62.59 -38.14 80.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 N-CA-C 109.537 -0.542 . . . . 25.0 109.537 179.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -66.41 -9.41 33.5 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.902 -0.59 . . . . 25.0 112.582 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -116.57 -36.58 3.91 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.116 0.784 . . . . 25.0 113.116 -179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.07 146.99 45.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.685 0.755 . . . . 25.0 112.696 -175.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -73.32 145.23 85.21 Favored Pre-proline 0 N--CA 1.442 -0.837 0 CA-C-N 115.233 -0.894 . . . . 25.0 109.182 -176.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -76.4 149.8 31.6 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 CA-C-O 121.534 0.556 . . . . 25.0 113.018 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . 0.412 ' CE1' ' HB3' ' A' ' 842' ' ' TYR . 62.9 t80 -117.27 133.02 56.48 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.835 -0.62 . . . . 25.0 112.211 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 6.1 t -140.32 38.81 1.9 Allowed 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 107.716 -1.216 . . . . 25.0 107.716 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -84.76 -164.78 38.79 Favored Glycine 0 CA--C 1.521 0.439 0 CA-C-N 115.165 -0.925 . . . . 25.0 114.486 -176.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -69.62 -25.24 29.43 Favored 'Trans proline' 0 C--N 1.345 0.369 0 N-CA-C 115.492 1.305 . . . . 25.0 115.492 -176.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -108.6 37.63 2.47 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 107.706 -1.22 . . . . 25.0 107.706 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 79.0 p -81.79 150.4 27.91 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 114.466 1.284 . . . . 25.0 114.466 -176.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 9.7 m -135.87 163.85 47.48 Favored Pre-proline 0 C--N 1.318 -0.766 0 N-CA-C 103.796 -2.668 . . . . 25.0 103.796 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -67.92 -7.61 20.17 Favored 'Trans proline' 0 CA--C 1.537 0.629 0 N-CA-C 115.421 1.277 . . . . 25.0 115.421 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -117.11 33.19 5.14 Favored Glycine 0 C--O 1.228 -0.254 0 N-CA-C 111.589 -0.604 . . . . 25.0 111.589 177.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -92.37 139.81 30.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.773 0.796 . . . . 25.0 112.159 -176.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 51.0 mt -136.16 140.73 43.85 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 107.914 -1.143 . . . . 25.0 107.914 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -90.74 106.79 18.75 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 107.255 -1.387 . . . . 25.0 107.255 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -74.97 -38.12 61.76 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 108.303 -0.999 . . . . 25.0 108.303 -177.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 3.8 ttp -64.63 -21.76 66.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.346 0.593 . . . . 25.0 110.173 -176.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 4.9 t -92.26 -9.7 41.17 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.853 0.686 . . . . 25.0 112.853 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -62.73 -40.48 97.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.837 -0.539 . . . . 25.0 112.373 -177.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 46.3 m -61.66 -15.49 40.31 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.326 0.861 . . . . 25.0 113.326 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 71.6 p -108.79 -15.18 14.45 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.694 0.627 . . . . 25.0 112.694 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -158.81 129.18 5.95 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.05 0.389 . . . . 25.0 112.05 -177.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -140.42 145.06 36.53 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 105.024 -2.213 . . . . 25.0 105.024 175.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -116.05 -6.42 11.95 Favored 'General case' 0 C--O 1.212 -0.894 0 N-CA-C 112.196 0.443 . . . . 25.0 112.196 -178.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -101.26 25.07 29.56 Favored Glycine 0 N--CA 1.453 -0.19 0 CA-C-O 119.779 -0.456 . . . . 25.0 112.749 -178.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -63.03 141.67 58.68 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.29 -1.374 . . . . 25.0 107.29 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 25.1 m -83.02 -20.21 35.47 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.699 0.629 . . . . 25.0 112.699 -175.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -111.74 51.05 0.81 Allowed 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.537 -1.283 . . . . 25.0 107.537 -177.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 49.4 tp . . . . . 0 C--O 1.245 0.821 0 CA-C-N 114.618 -1.174 . . . . 25.0 111.416 -177.065 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.001 0 CA-C-O 119.299 -0.723 . . . . 25.0 111.616 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 22.6 t -56.27 126.58 26.84 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 117.85 0.825 . . . . 25.0 111.759 -176.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 38.5 m -146.57 123.34 11.24 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.17 0.804 . . . . 25.0 113.17 -177.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 743' ' ' ILE . . . . . 0.404 HG21 ' HB3' ' A' ' 748' ' ' MET . 0.5 OUTLIER -74.33 142.55 14.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 123.152 0.581 . . . . 25.0 110.578 175.262 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 19.9 m -81.04 165.53 21.58 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.533 -0.543 . . . . 25.0 109.533 175.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -63.96 -36.55 84.34 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 120.92 -1.113 . . . . 25.0 110.102 178.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.67 -20.06 60.02 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 116.319 -0.401 . . . . 25.0 111.36 178.236 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.05 -58.08 3.54 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 109.441 -0.577 . . . . 25.0 109.441 -179.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 748' ' ' MET . . . . . 0.404 ' HB3' HG21 ' A' ' 743' ' ' ILE . 22.6 ptp -56.75 -26.42 57.27 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.961 -0.696 . . . . 25.0 111.471 177.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -56.09 23.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.962 -0.563 . . . . 25.0 110.148 179.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -72.58 -32.16 65.8 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.351 -0.386 . . . . 25.0 110.545 -177.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -60.15 -49.42 77.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.02 0.438 . . . . 25.0 109.999 175.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -65.08 -42.19 94.34 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 109.733 -0.469 . . . . 25.0 109.733 -179.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.39 -38.93 91.48 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.29 0.478 . . . . 25.0 112.29 -178.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 45.9 m -66.53 -45.46 79.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 118.194 0.452 . . . . 25.0 110.814 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -39.94 91.33 Favored 'General case' 0 C--O 1.208 -1.108 0 N-CA-C 108.69 -0.856 . . . . 25.0 108.69 177.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.71 -31.02 67.72 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 179.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -68.58 -35.65 77.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.144 -0.347 . . . . 25.0 110.259 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -88.07 -38.6 15.29 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.985 -0.552 . . . . 25.0 109.857 178.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . 0.468 ' HA ' HD21 ' A' ' 766' ' ' LEU . 57.1 t0 -88.3 68.84 9.04 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 122.512 1.149 . . . . 25.0 108.402 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -75.61 -2.41 29.13 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.546 -1.206 . . . . 25.0 110.744 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -97.89 -0.46 44.94 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 178.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 19.8 p80 40.28 40.77 0.88 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.238 1.415 . . . . 25.0 114.24 -177.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 45.4 t -71.36 -23.02 61.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.818 -0.628 . . . . 25.0 110.552 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 92.58 0.61 69.41 Favored Glycine 0 C--O 1.239 0.461 0 N-CA-C 109.838 -1.305 . . . . 25.0 109.838 -177.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -149.95 154.65 38.63 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 123.381 0.672 . . . . 25.0 109.518 -175.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 766' ' ' LEU . . . . . 0.468 HD21 ' HA ' ' A' ' 759' ' ' ASP . 19.7 mt -137.15 174.44 10.61 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.233 -1.025 . . . . 25.0 108.233 177.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.92 173.77 54.72 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 110.63 -0.988 . . . . 25.0 110.63 -179.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.69 -33.63 34.5 Favored 'Trans proline' 0 C--O 1.222 -0.287 0 CA-C-N 118.426 1.113 . . . . 25.0 113.06 -177.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -79.18 -35.72 41.4 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.867 0.365 . . . . 25.0 110.718 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -64.33 -55.42 21.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.837 0.351 . . . . 25.0 110.285 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 771' ' ' PHE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -58.9 -31.26 68.46 Favored 'General case' 0 C--O 1.213 -0.827 0 N-CA-C 112.608 0.596 . . . . 25.0 112.608 175.106 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -63.95 -45.34 89.58 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.755 0.707 . . . . 25.0 110.223 177.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -72.11 -24.94 61.56 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.257 0.551 . . . . 25.0 110.602 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 50.6 t -65.29 -28.51 69.38 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.921 -0.4 . . . . 25.0 109.921 176.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . 0.411 ' HB3' ' CG ' ' A' ' 780' ' ' TYR . 15.6 mt -70.9 -33.98 71.11 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-O 121.78 0.8 . . . . 25.0 109.966 178.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 62.6 mt -58.83 -35.27 55.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.703 -0.48 . . . . 25.0 109.703 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 19.4 t -62.3 -19.83 63.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.355 -0.384 . . . . 25.0 111.996 178.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 20.3 mt -94.67 -21.61 18.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.708 0.289 . . . . 25.0 110.606 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 120.18 34.37 0.96 Allowed Glycine 0 C--O 1.225 -0.449 0 CA-C-N 115.866 -0.607 . . . . 25.0 114.29 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 780' ' ' TYR . . . . . 0.411 ' CG ' ' HB3' ' A' ' 775' ' ' LEU . 10.1 m-85 -101.47 133.19 46.49 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.804 -0.813 . . . . 25.0 108.804 -179.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -84.24 50.04 1.78 Allowed 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 121.843 0.83 . . . . 25.0 110.35 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 53.6 mt -124.99 80.63 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 -175.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -128.24 52.64 0.82 Allowed Glycine 0 C--O 1.225 -0.435 0 CA-C-N 115.417 -0.81 . . . . 25.0 113.268 -176.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 67.66 13.96 9.39 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.9 1.28 . . . . 25.0 111.5 -177.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -66.59 153.31 93.61 Favored Pre-proline 0 C--N 1.321 -0.635 0 N-CA-C 105.575 -2.009 . . . . 25.0 105.575 173.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -69.02 -20.2 38.66 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 113.743 -3.705 . . . . 25.0 112.741 -177.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -80.29 -37.3 33.0 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.037 -1.098 . . . . 25.0 108.037 178.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -64.47 -46.08 91.39 Favored Glycine 0 C--O 1.206 -1.652 0 N-CA-C 110.203 -1.159 . . . . 25.0 110.203 178.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -60.34 -35.25 75.21 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 118.054 0.927 . . . . 25.0 111.834 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -63.71 -36.09 82.72 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.196 -0.298 . . . . 25.0 110.196 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -94.31 -14.15 25.7 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.294 0.569 . . . . 25.0 111.309 -178.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -78.96 -33.28 45.38 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.544 -0.91 . . . . 25.0 108.544 173.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -61.23 -30.84 70.69 Favored 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 111.706 0.262 . . . . 25.0 111.706 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.81 -34.65 45.15 Favored 'General case' 0 C--O 1.208 -1.111 0 CA-C-O 122.053 0.93 . . . . 25.0 109.75 176.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 45.9 mt -64.23 -50.68 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 CA-C-N 114.688 -1.142 . . . . 25.0 109.444 -176.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 17.1 ptt? -62.43 -24.49 67.44 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.91 0.386 . . . . 25.0 111.165 -176.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 62.6 m -78.72 -19.42 52.41 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 112.362 0.505 . . . . 25.0 112.362 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 70.1 mt -94.86 -45.22 13.43 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.497 0 CA-C-O 121.337 0.589 . . . . 25.0 110.029 -177.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.44 ' HB ' HG13 ' A' ' 807' ' ' VAL . 27.0 m -76.11 -14.1 14.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.759 -0.655 . . . . 25.0 112.149 -177.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -149.71 68.27 8.98 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-O 121.746 0.784 . . . . 25.0 111.444 -177.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -74.31 -13.11 23.13 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 117.222 -1.385 . . . . 25.0 111.533 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.84 -7.63 59.4 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 116.185 -0.461 . . . . 25.0 111.158 -178.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 58.87 46.91 13.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.979 0.895 . . . . 25.0 111.861 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 83.1 mt -73.89 -25.17 59.88 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.098 -1.41 . . . . 25.0 108.822 176.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 84.76 18.12 62.24 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.384 -0.825 . . . . 25.0 111.503 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 15.0 m -147.83 160.06 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 108.796 -0.816 . . . . 25.0 108.796 -175.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 807' ' ' VAL . . . . . 0.44 HG13 ' HB ' ' A' ' 799' ' ' VAL . 10.7 t -129.79 131.86 66.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.015 -0.539 . . . . 25.0 110.31 -178.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 8.0 t -97.7 159.48 14.9 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 109.662 -0.496 . . . . 25.0 109.662 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -50.73 -44.37 58.29 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-O 121.603 0.716 . . . . 25.0 111.285 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -21.09 61.42 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.578 -0.701 . . . . 25.0 110.341 -174.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -76.65 -41.71 44.69 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 119.787 -0.765 . . . . 25.0 110.957 -176.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.418 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 0.7 OUTLIER -67.19 -30.35 70.27 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 119.657 -0.817 . . . . 25.0 110.209 178.283 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 22.0 mm -63.42 -26.51 40.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 121.231 0.539 . . . . 25.0 110.522 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -63.0 -46.4 87.83 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 119.119 -1.033 . . . . 25.0 109.78 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 815' ' ' PHE . . . . . 0.418 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.8 p90 -77.89 -23.51 48.73 Favored 'General case' 0 CA--C 1.51 -0.591 0 O-C-N 120.877 -1.139 . . . . 25.0 111.712 -178.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.38 -31.95 73.24 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.561 -1.274 . . . . 25.0 107.561 -178.004 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 40.8 t -65.84 -24.6 66.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.355 -0.384 . . . . 25.0 111.754 178.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 63.2 mmt-85 -85.71 -27.29 25.39 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 122.079 -0.388 . . . . 25.0 110.371 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -79.68 -35.88 38.49 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.099 -0.704 . . . . 25.0 109.099 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 1.3 m -97.39 27.19 4.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 122.664 1.221 . . . . 25.0 109.711 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -57.56 139.95 52.16 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.274 -1.33 . . . . 25.0 112.106 -176.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -153.37 159.26 42.4 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 105.147 -2.168 . . . . 25.0 105.147 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 75.8 p -121.43 -170.61 2.06 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 123.217 0.607 . . . . 25.0 112.144 -172.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -78.67 155.48 29.46 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 66.4 p -108.56 147.29 31.99 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.581 0.705 . . . . 25.0 109.119 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -67.8 -18.34 64.82 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.671 -0.695 . . . . 25.0 112.25 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.67 -31.08 71.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.035 0.445 . . . . 25.0 110.29 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -59.14 -44.08 92.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.279 0.561 . . . . 25.0 111.465 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 7.3 p -86.26 -30.3 6.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.738 -0.664 . . . . 25.0 109.67 -177.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 15.6 ttm -62.7 -36.92 84.49 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.771 -0.581 . . . . 25.0 109.675 176.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -55.55 -37.62 68.24 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.265 -0.425 . . . . 25.0 110.63 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 15.4 m -70.48 -41.96 72.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.065 0.46 . . . . 25.0 111.078 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -63.86 -36.61 84.49 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-O 121.161 0.505 . . . . 25.0 109.711 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -63.99 -19.5 65.21 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.758 0.651 . . . . 25.0 112.758 -178.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 61.7 mt -81.72 -44.53 20.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.215 -0.661 . . . . 25.0 109.215 178.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.22 -33.0 24.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.356 0.598 . . . . 25.0 110.989 -173.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.503 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -108.78 17.54 21.75 Favored 'General case' 0 C--O 1.206 -1.204 0 CA-C-N 115.557 -0.747 . . . . 25.0 112.329 -177.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -66.3 -19.95 68.92 Favored Glycine 0 C--O 1.223 -0.555 0 N-CA-C 107.742 -2.143 . . . . 25.0 107.742 171.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -74.87 -23.84 58.47 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.426 -0.887 . . . . 25.0 111.739 176.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -123.66 -175.6 3.25 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.867 -0.521 . . . . 25.0 110.206 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -106.62 8.76 31.34 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.64 -0.663 . . . . 25.0 109.769 174.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -156.85 178.75 9.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.571 -0.286 . . . . 25.0 110.315 -177.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . 0.503 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.4 OUTLIER -136.53 152.12 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 N-CA-C 108.68 -0.859 . . . . 25.0 108.68 -177.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 54.9 p -102.13 160.68 14.3 Favored 'General case' 0 C--N 1.315 -0.912 0 O-C-N 121.365 -0.835 . . . . 25.0 110.125 173.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 66.0 mtm -58.61 -33.67 70.27 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-N 114.78 -1.1 . . . . 25.0 111.137 177.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -74.05 -35.9 64.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.631 0.729 . . . . 25.0 111.319 -178.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -68.65 -49.23 60.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.088 -0.506 . . . . 25.0 111.763 -178.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.26 -27.36 67.89 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.733 -0.605 . . . . 25.0 110.699 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -67.59 -25.7 65.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.423 -0.353 . . . . 25.0 111.455 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -23.44 60.61 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.855 -0.528 . . . . 25.0 110.001 -179.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -83.79 -39.91 19.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.516 -0.766 . . . . 25.0 109.785 -176.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.67 80.44 71.93 Favored Pre-proline 0 C--O 1.22 -0.449 0 CA-C-N 115.706 -0.679 . . . . 25.0 109.598 178.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.48 -32.37 73.17 Favored 'Trans proline' 0 CA--C 1.552 1.376 0 N-CA-C 119.011 2.658 . . . . 25.0 119.011 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -76.28 -168.43 0.56 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 115.041 -2.839 . . . . 25.0 112.972 178.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -50.61 -16.48 0.38 Allowed 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 115.632 1.716 . . . . 25.0 115.632 -178.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -52.59 -39.79 61.95 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.849 -0.532 . . . . 25.0 110.878 176.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.27 -41.59 96.86 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 120.486 0.184 . . . . 25.0 110.812 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -68.14 -39.75 82.61 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.98 0.419 . . . . 25.0 110.056 -177.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -65.9 -29.68 70.15 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.471 -0.566 . . . . 25.0 109.471 176.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 36.4 m -73.0 -43.9 61.63 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 109.093 -0.706 . . . . 25.0 109.093 178.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 20.9 mt -62.64 -38.89 82.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.581 -0.526 . . . . 25.0 109.581 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.62 -6.64 11.76 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.197 0.814 . . . . 25.0 113.197 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -124.17 -34.03 3.0 Favored 'General case' 0 C--O 1.216 -0.703 0 N-CA-C 114.593 1.331 . . . . 25.0 114.593 178.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 38.1 ttm -59.93 149.66 31.1 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.586 0.708 . . . . 25.0 112.747 -174.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -75.34 141.12 73.2 Favored Pre-proline 0 N--CA 1.441 -0.881 0 CA-C-N 115.733 -0.667 . . . . 25.0 109.299 -173.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -74.85 150.8 39.49 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 CA-C-O 121.419 0.508 . . . . 25.0 111.242 178.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -105.53 133.78 49.72 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 112.968 0.729 . . . . 25.0 112.968 -178.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 55.0 m -130.87 110.85 11.59 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 106.249 -1.759 . . . . 25.0 106.249 174.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -169.69 -173.24 37.02 Favored Glycine 0 C--N 1.323 -0.151 0 C-N-CA 120.086 -1.054 . . . . 25.0 112.286 -178.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.13 -27.3 24.87 Favored 'Trans proline' 0 C--O 1.218 -0.506 0 CA-C-N 119.048 1.424 . . . . 25.0 114.67 -176.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -94.59 16.19 16.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.228 0.537 . . . . 25.0 110.18 -178.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 54.7 p -70.96 151.37 44.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.82 1.295 . . . . 25.0 114.202 -172.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 4.9 m -142.1 160.18 56.14 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 102.571 -3.122 . . . . 25.0 102.571 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -60.32 -16.21 39.74 Favored 'Trans proline' 0 C--N 1.35 0.606 0 N-CA-C 115.028 1.126 . . . . 25.0 115.028 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -110.75 31.65 7.16 Favored Glycine 0 C--O 1.226 -0.352 0 C-N-CA 121.713 -0.279 . . . . 25.0 113.082 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -92.74 136.38 33.29 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.151 0.5 . . . . 25.0 111.568 -179.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 47.7 mt -134.36 140.11 46.1 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.66 -1.237 . . . . 25.0 107.66 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -88.54 108.52 19.46 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 107.34 -1.356 . . . . 25.0 107.34 178.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -79.74 -32.54 41.1 Favored 'General case' 0 CA--C 1.491 -1.301 0 CA-C-N 115.446 -0.797 . . . . 25.0 109.428 -177.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -29.73 70.6 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.201 -1.037 . . . . 25.0 108.201 -178.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.0 t -86.25 -15.14 41.7 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 114.004 1.113 . . . . 25.0 114.004 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -58.04 -43.29 86.76 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 115.115 1.524 . . . . 25.0 115.115 -174.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 69.8 m -66.05 -17.62 64.81 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.594 0.961 . . . . 25.0 113.594 -178.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 13.8 t -109.3 -6.37 15.54 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 111.871 0.323 . . . . 25.0 111.871 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -153.75 119.72 5.36 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.254 0.55 . . . . 25.0 112.397 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -145.21 147.59 32.6 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 105.467 -2.049 . . . . 25.0 105.467 176.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -109.76 -43.0 4.12 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.567 0.58 . . . . 25.0 112.567 -177.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . 56.4 49.57 68.02 Favored Glycine 0 C--O 1.218 -0.898 0 N-CA-C 117.512 1.765 . . . . 25.0 117.512 177.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -67.96 -18.6 64.79 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.726 1.01 . . . . 25.0 113.726 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 17.9 m -78.08 140.55 39.08 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.425 0.528 . . . . 25.0 112.425 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -75.36 -1.29 23.09 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 114.897 1.443 . . . . 25.0 114.897 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.467 -0.777 . . . . 25.0 111.144 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 740' ' ' GLY . . . . . 0.524 ' N ' ' HG1' ' A' ' 820' ' ' THR . . . . . . . . 0 N--CA 1.48 1.629 0 CA-C-O 119.402 -0.666 . . . . 25.0 111.695 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 2.3 m -64.44 -26.62 68.53 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.187 0.993 . . . . 25.0 113.491 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 38.5 t -80.45 101.13 8.87 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.348 -0.612 . . . . 25.0 109.348 -179.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 2.3 mt -70.86 131.13 34.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.771 0.796 . . . . 25.0 111.689 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 14.5 m -91.97 175.51 6.85 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 114.619 -1.173 . . . . 25.0 108.34 173.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -65.64 -39.44 91.44 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 120.513 -1.367 . . . . 25.0 110.942 -178.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . 0.577 ' CD ' ' H ' ' A' ' 746' ' ' GLU . 1.5 mp0 -67.68 -37.71 82.71 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 108.297 -1.001 . . . . 25.0 108.297 -178.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -62.42 1.9 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.776 -1.102 . . . . 25.0 110.921 177.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.58 -28.8 48.75 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 121.93 -0.481 . . . . 25.0 111.658 178.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.43 -55.27 22.05 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.273 -0.421 . . . . 25.0 110.907 -178.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -69.33 -31.89 70.63 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.881 -0.414 . . . . 25.0 109.881 -177.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -59.41 -42.42 91.76 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.183 0.516 . . . . 25.0 109.938 176.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 33.1 mtp85 -75.05 -41.2 59.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.487 -0.324 . . . . 25.0 110.381 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -66.87 -39.48 87.55 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.966 0.728 . . . . 25.0 112.966 -177.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 15.9 t -67.68 -43.65 79.67 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 118.353 0.524 . . . . 25.0 110.152 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -40.98 89.3 Favored 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 177.3 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.29 -30.67 67.73 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.495 0.554 . . . . 25.0 112.495 179.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -68.86 -35.19 76.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.039 -0.413 . . . . 25.0 109.994 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -90.31 -33.19 16.2 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 116.22 -0.445 . . . . 25.0 110.993 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . 0.451 ' HA ' HD21 ' A' ' 766' ' ' LEU . 47.7 t0 -91.3 70.4 6.09 Favored 'General case' 0 CA--C 1.502 -0.888 0 CA-C-O 122.251 1.024 . . . . 25.0 108.751 -178.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -79.33 -1.8 38.53 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.724 -1.125 . . . . 25.0 110.785 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -89.98 -11.46 41.58 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 106.719 -1.586 . . . . 25.0 106.719 175.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 51.36 38.46 21.72 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.218 -1.355 . . . . 25.0 113.104 178.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 96.6 p -78.08 -20.03 53.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.601 -0.727 . . . . 25.0 111.176 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 95.0 2.46 62.49 Favored Glycine 0 C--O 1.246 0.878 0 N-CA-C 110.192 -1.163 . . . . 25.0 110.192 -178.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.3 p -146.37 165.6 28.83 Favored 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 123.504 0.721 . . . . 25.0 109.377 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 766' ' ' LEU . . . . . 0.469 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 15.9 mt -145.18 174.92 10.66 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 106.506 -1.664 . . . . 25.0 106.506 174.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -85.08 178.65 50.93 Favored Glycine 0 N--CA 1.445 -0.756 0 N-CA-C 109.139 -1.584 . . . . 25.0 109.139 179.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -70.96 -29.48 18.1 Favored 'Trans proline' 0 C--O 1.223 -0.259 0 CA-C-N 117.938 0.869 . . . . 25.0 113.75 -175.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -80.37 -37.52 32.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.541 0.686 . . . . 25.0 109.724 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -66.7 -52.99 38.29 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.77 -0.65 . . . . 25.0 110.481 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 771' ' ' PHE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -59.73 -31.61 69.78 Favored 'General case' 0 C--O 1.211 -0.948 0 C-N-CA 120.29 -0.564 . . . . 25.0 112.195 174.329 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -61.45 -47.83 83.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 119.24 0.927 . . . . 25.0 109.625 177.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.04 -25.95 62.88 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.117 0.484 . . . . 25.0 111.498 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 43.8 t -62.84 -32.12 73.27 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.628 -0.508 . . . . 25.0 109.628 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . 0.42 ' HB3' ' CG ' ' A' ' 780' ' ' TYR . 13.2 mt -72.52 -31.6 65.45 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-O 120.971 0.415 . . . . 25.0 111.645 178.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.1 mt -58.92 -35.77 58.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.072 -0.714 . . . . 25.0 109.072 -177.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 23.2 t -64.15 -17.99 64.01 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 112.352 0.501 . . . . 25.0 112.352 178.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 20.1 mt -94.93 -16.78 22.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.998 0.428 . . . . 25.0 110.596 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 115.83 37.18 1.08 Allowed Glycine 0 C--O 1.224 -0.505 0 CA-C-N 115.497 -0.774 . . . . 25.0 114.288 178.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 780' ' ' TYR . . . . . 0.42 ' CG ' ' HB3' ' A' ' 775' ' ' LEU . 11.3 m-85 -104.65 131.08 52.5 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 -179.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -84.05 54.47 2.94 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.849 0.833 . . . . 25.0 110.781 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 38.8 mt -126.93 77.24 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.492 0.663 . . . . 25.0 109.568 -176.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -135.13 60.39 0.65 Allowed Glycine 0 C--O 1.226 -0.344 0 CA-C-N 115.941 -0.572 . . . . 25.0 114.258 -177.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 31.4 t30 73.16 8.81 5.32 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.627 1.171 . . . . 25.0 112.266 -179.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -69.92 153.01 95.79 Favored Pre-proline 0 C--N 1.317 -0.814 0 N-CA-C 107.338 -1.356 . . . . 25.0 107.338 176.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -69.64 -19.65 36.42 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 113.619 -3.787 . . . . 25.0 112.807 -176.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -83.87 -36.3 23.51 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.992 -1.114 . . . . 25.0 107.992 177.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -60.44 -56.92 21.72 Favored Glycine 0 C--O 1.212 -1.276 0 N-CA-C 110.82 -0.912 . . . . 25.0 110.82 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -59.52 -30.65 68.74 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 118.649 1.224 . . . . 25.0 113.157 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -64.79 -36.67 85.07 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 121.078 -0.249 . . . . 25.0 110.932 177.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -90.03 -25.29 20.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.789 0.804 . . . . 25.0 110.071 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.95 -34.32 73.26 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 108.1 -1.074 . . . . 25.0 108.1 178.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.95 -34.2 72.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.04 0.448 . . . . 25.0 111.593 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -83.55 -28.36 28.65 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 109.109 -0.7 . . . . 25.0 109.109 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 41.0 mt -68.59 -48.86 69.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.881 -0.415 . . . . 25.0 109.881 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 19.5 ptt? -61.41 -28.82 69.53 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 121.064 0.459 . . . . 25.0 111.241 -177.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 57.2 m -70.6 -20.38 62.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.446 -0.343 . . . . 25.0 111.912 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 71.7 mt -96.01 -44.66 13.0 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.553 0 CA-C-O 121.028 0.442 . . . . 25.0 111.889 -177.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.449 ' HB ' HG13 ' A' ' 807' ' ' VAL . 33.5 m -79.84 -8.25 11.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 113.487 0.921 . . . . 25.0 113.487 -175.057 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -139.42 64.02 29.9 Favored Pre-proline 0 C--N 1.321 -0.655 0 N-CA-C 107.988 -1.115 . . . . 25.0 107.988 -178.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -78.77 -17.45 12.36 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 116.433 -1.911 . . . . 25.0 115.022 -172.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . 0.869 ' HB2' HD11 ' A' ' 804' ' ' LEU . 0.9 OUTLIER -88.48 -10.09 50.25 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 118.198 0.454 . . . . 25.0 109.858 -176.57 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 81.44 42.78 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.112 0 CA-C-O 124.73 2.205 . . . . 25.0 112.15 173.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 804' ' ' LEU . . . . . 0.869 HD11 ' HB2' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -80.34 -23.55 40.48 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 110.465 -3.061 . . . . 25.0 112.096 -176.039 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 79.09 18.68 74.11 Favored Glycine 0 C--O 1.243 0.678 0 CA-C-N 114.25 -1.341 . . . . 25.0 111.673 175.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 15.5 m -143.7 149.71 17.77 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 CA-C-O 121.969 0.89 . . . . 25.0 110.119 -175.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 807' ' ' VAL . . . . . 0.449 HG13 ' HB ' ' A' ' 799' ' ' VAL . 9.5 t -119.88 126.78 75.65 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.527 -0.761 . . . . 25.0 108.972 -178.305 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 8.3 t -97.35 159.46 14.91 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.827 -0.624 . . . . 25.0 109.459 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -50.7 -44.01 57.84 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-O 121.469 0.652 . . . . 25.0 111.064 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -20.61 61.09 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 121.518 -0.738 . . . . 25.0 110.287 -174.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -77.59 -41.24 39.41 Favored 'General case' 0 C--O 1.217 -0.625 0 C-N-CA 119.885 -0.726 . . . . 25.0 110.949 -177.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.437 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.1 p90 -68.08 -30.02 69.1 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 119.066 -1.054 . . . . 25.0 110.274 178.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 19.7 mm -64.43 -27.64 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-O 121.579 0.704 . . . . 25.0 110.039 176.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -61.73 -41.33 97.5 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.41 0.624 . . . . 25.0 110.573 -179.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 815' ' ' PHE . . . . . 0.437 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.0 p90 -84.92 -23.34 28.91 Favored 'General case' 0 C--O 1.214 -0.796 0 C-N-CA 119.841 -0.744 . . . . 25.0 112.682 178.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.515 ' O ' HG22 ' A' ' 820' ' ' THR . 2.3 ppp? -55.81 -38.94 70.64 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 118.456 0.571 . . . . 25.0 110.555 -174.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 33.6 t -60.61 -30.4 69.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.356 0.598 . . . . 25.0 111.449 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -85.8 -42.33 14.26 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 113.236 0.828 . . . . 25.0 113.236 -177.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -78.69 -39.34 36.89 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 113.393 0.886 . . . . 25.0 113.393 -174.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . 0.524 ' HG1' ' N ' ' A' ' 740' ' ' GLY . 14.9 t -97.35 27.55 4.15 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 108.193 -1.04 . . . . 25.0 108.193 178.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -56.24 -37.17 69.38 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 114.901 -1.045 . . . . 25.0 109.24 176.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -83.64 152.63 24.69 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.068 -1.086 . . . . 25.0 108.068 176.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 7.2 t -152.41 154.11 34.92 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 122.008 -0.433 . . . . 25.0 110.869 -176.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -129.0 163.55 25.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.233 0.539 . . . . 25.0 110.732 -178.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 82.2 p -61.92 -18.42 60.2 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.341 0.867 . . . . 25.0 113.341 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -62.39 -24.94 67.66 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 122.09 -0.381 . . . . 25.0 110.88 176.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -60.41 -33.49 72.57 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-O 120.762 0.315 . . . . 25.0 110.956 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -61.81 -46.94 87.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.611 0.72 . . . . 25.0 111.874 -177.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 15.0 p -77.1 -32.79 19.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.182 -0.673 . . . . 25.0 109.182 -177.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -42.69 89.8 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.87 -0.419 . . . . 25.0 109.87 178.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.58 -36.64 78.99 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 116.193 -0.458 . . . . 25.0 109.797 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 40.8 m -58.88 -41.29 86.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.997 0.427 . . . . 25.0 111.287 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -73.21 -34.76 66.13 Favored 'General case' 0 C--O 1.22 -0.483 0 O-C-N 121.638 -0.664 . . . . 25.0 110.39 178.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -64.12 -18.77 64.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.451 -0.795 . . . . 25.0 112.022 -178.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 68.5 mt -73.85 -49.51 34.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.275 -1.009 . . . . 25.0 108.275 177.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.79 -28.15 26.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.698 0.761 . . . . 25.0 111.575 -171.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.651 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -108.58 17.46 21.97 Favored 'General case' 0 C--O 1.206 -1.233 0 CA-C-N 115.701 -0.681 . . . . 25.0 112.231 -177.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -61.69 -26.41 66.78 Favored Glycine 0 C--N 1.316 -0.533 0 N-CA-C 108.346 -1.901 . . . . 25.0 108.346 172.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -70.23 -21.52 63.0 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 176.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -130.51 -178.09 4.63 Favored 'General case' 0 C--O 1.21 -0.988 0 CA-C-N 118.942 0.792 . . . . 25.0 111.023 -177.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -104.45 11.09 34.91 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.932 -0.766 . . . . 25.0 108.932 175.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -157.81 176.98 11.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.315 -0.402 . . . . 25.0 110.252 -176.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . 0.651 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.4 OUTLIER -135.7 155.02 35.58 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 N-CA-C 109.02 -0.734 . . . . 25.0 109.02 -177.192 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 41.0 p -108.41 160.23 16.04 Favored 'General case' 0 C--N 1.313 -1.018 0 O-C-N 121.112 -0.992 . . . . 25.0 109.255 173.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 72.1 mtm -60.44 -35.45 75.85 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.773 -1.103 . . . . 25.0 109.354 175.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -67.41 -30.35 70.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.396 -0.82 . . . . 25.0 112.005 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . 0.504 ' CD ' HH21 ' A' ' 850' ' ' ARG . 47.4 mm-40 -77.5 -55.85 5.03 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.763 -0.375 . . . . 25.0 110.365 177.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.1 pp -63.49 -26.42 68.71 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.397 0.517 . . . . 25.0 112.397 -175.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 36.3 ptt85 -69.76 -13.13 62.13 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 120.22 -0.592 . . . . 25.0 112.496 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . 0.504 HH21 ' CD ' ' A' ' 847' ' ' GLU . 3.2 ptp180 -81.1 -29.17 34.95 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.219 0.533 . . . . 25.0 109.984 -179.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -82.7 -40.83 20.1 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.962 -1.017 . . . . 25.0 110.67 -174.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.75 79.36 56.4 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 108.78 -0.822 . . . . 25.0 108.78 177.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -63.23 -21.76 72.24 Favored 'Trans proline' 0 CA--C 1.553 1.431 0 N-CA-C 119.595 2.883 . . . . 25.0 119.595 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -79.74 -162.66 0.19 Allowed 'Trans proline' 0 C--N 1.363 1.307 1 C-N-CA 113.229 -4.047 . . . . 25.0 111.825 175.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.7 -20.34 0.8 Allowed 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.534 1.309 . . . . 25.0 114.534 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -52.69 -38.24 60.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.008 -0.433 . . . . 25.0 111.791 177.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.11 -43.23 99.03 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-O 120.8 0.333 . . . . 25.0 110.377 178.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -68.54 -41.73 79.45 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.289 0.566 . . . . 25.0 109.559 -176.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -65.08 -26.6 68.3 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.568 176.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 30.8 m -76.44 -44.73 34.47 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 177.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 22.6 mt -60.63 -38.64 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 109.487 -0.56 . . . . 25.0 109.487 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.25 -9.88 20.11 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.894 1.072 . . . . 25.0 113.894 178.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -124.1 -24.06 4.45 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 114.214 1.191 . . . . 25.0 114.214 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 2.1 ttm -63.51 144.64 56.82 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.787 -0.449 . . . . 25.0 109.787 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -71.86 144.96 88.69 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 108.235 -1.024 . . . . 25.0 108.235 -176.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -75.22 145.94 31.32 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 CA-C-O 121.475 0.531 . . . . 25.0 111.326 177.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -105.75 128.99 54.04 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 113.184 0.809 . . . . 25.0 113.184 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 4.0 m -135.99 60.43 1.68 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.68 0.752 . . . . 25.0 109.31 177.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -111.39 -168.75 18.68 Favored Glycine 0 CA--C 1.519 0.314 0 CA-C-N 115.574 -0.739 . . . . 25.0 112.695 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -70.16 -28.82 22.85 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 CA-C-N 118.934 1.367 . . . . 25.0 114.88 -178.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -92.64 19.11 7.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.541 0.686 . . . . 25.0 110.186 -178.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 78.6 p -73.76 148.35 42.64 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 122.752 1.263 . . . . 25.0 114.328 -172.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 13.0 m -137.27 162.33 55.89 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 104.714 -2.328 . . . . 25.0 104.714 -177.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -74.78 47.98 1.82 Allowed 'Trans proline' 0 CA--C 1.546 1.112 0 C-N-CA 120.813 1.009 . . . . 25.0 114.291 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -178.44 31.43 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 N-CA-C 108.999 -1.64 . . . . 25.0 108.999 178.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -98.48 139.72 33.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.405 -0.898 . . . . 25.0 111.303 -176.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 45.1 mt -135.45 145.21 46.97 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 106.602 -1.629 . . . . 25.0 106.602 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -93.99 111.14 22.81 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 107.83 -1.174 . . . . 25.0 107.83 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -82.96 -32.35 27.12 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 115.919 -0.582 . . . . 25.0 110.367 -176.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 1.9 mtt -65.78 -31.24 72.1 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 107.834 -1.173 . . . . 25.0 107.834 -178.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.0 t -87.42 -16.56 34.52 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 114.126 1.158 . . . . 25.0 114.126 -178.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -53.53 -43.38 68.32 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.592 0.96 . . . . 25.0 113.592 -174.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 75.2 m -67.01 -17.53 64.96 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.655 0.983 . . . . 25.0 113.655 -178.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 43.5 p -91.63 -27.82 17.89 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.716 -0.393 . . . . 25.0 111.45 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -156.64 118.85 3.94 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.853 1.057 . . . . 25.0 113.853 -178.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.28 153.14 36.79 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.634 -1.247 . . . . 25.0 107.634 173.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -107.12 -37.1 6.39 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 120.68 -0.408 . . . . 25.0 111.577 177.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . 75.19 26.28 66.62 Favored Glycine 0 CA--C 1.518 0.238 0 N-CA-C 118.744 2.258 . . . . 25.0 118.744 172.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -66.79 155.61 37.75 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 117.902 0.851 . . . . 25.0 111.52 -179.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 68.4 m -158.59 169.57 24.12 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 106.219 -1.771 . . . . 25.0 106.219 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -100.8 17.85 20.98 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.256 0.622 . . . . 25.0 110.963 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 72.1 mt . . . . . 0 C--O 1.252 1.186 0 CA-C-O 117.973 -1.013 . . . . 25.0 112.059 -176.969 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.621 0 N-CA-C 111.735 -0.546 . . . . 25.0 111.735 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 47.3 t -59.85 142.9 52.63 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 117.716 0.758 . . . . 25.0 110.693 -178.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 70.0 m -74.58 141.68 44.72 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.246 -0.888 . . . . 25.0 111.277 -176.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -62.59 141.45 17.94 Favored 'Isoleucine or valine' 0 C--O 1.245 0.819 0 CA-C-N 114.616 -1.175 . . . . 25.0 111.308 179.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 14.8 m -81.38 163.47 22.8 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.001 -0.545 . . . . 25.0 109.783 176.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -63.24 -33.38 75.38 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.523 -0.735 . . . . 25.0 109.877 178.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -74.98 -23.6 58.29 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.493 -0.322 . . . . 25.0 111.289 177.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 747' ' ' GLN . . . . . 0.416 HE21 ' HA ' ' A' ' 747' ' ' GLN . 0.3 OUTLIER -75.05 -56.07 5.11 Favored 'General case' 0 CA--C 1.502 -0.891 0 N-CA-C 109.242 -0.651 . . . . 25.0 109.242 -178.597 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 25.4 ptp -56.99 -27.0 61.1 Favored 'General case' 0 C--O 1.22 -0.491 0 C-N-CA 119.73 -0.788 . . . . 25.0 110.66 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -61.95 -53.44 55.66 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.152 -0.476 . . . . 25.0 109.806 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -74.54 -33.78 62.81 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 109.088 -0.708 . . . . 25.0 109.088 -175.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -59.0 -47.05 86.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.388 0.613 . . . . 25.0 109.981 176.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -69.78 -39.75 76.45 Favored 'General case' 0 C--O 1.213 -0.833 0 O-C-N 121.702 -0.624 . . . . 25.0 110.047 -178.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -66.78 -38.99 87.63 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-O 118.753 -0.642 . . . . 25.0 112.695 -178.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 69.4 m -71.16 -41.19 70.7 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 118.495 0.589 . . . . 25.0 110.648 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -43.63 85.8 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.776 -1.194 . . . . 25.0 107.776 176.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.31 -33.35 69.6 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 113.111 0.782 . . . . 25.0 113.111 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -64.65 -38.21 90.23 Favored 'General case' 0 CA--C 1.509 -0.622 0 O-C-N 121.618 -0.676 . . . . 25.0 109.557 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -84.31 -39.0 19.7 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 115.747 -0.661 . . . . 25.0 109.478 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -89.13 70.8 8.39 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 123.991 1.853 . . . . 25.0 109.959 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 45.2 mtm180 -74.93 -8.46 56.54 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 113.187 -1.824 . . . . 25.0 111.036 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -92.56 2.3 56.77 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 124.177 0.923 . . . . 25.0 108.719 179.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 21.7 p80 39.01 41.17 0.53 Allowed 'General case' 0 C--O 1.241 0.637 0 N-CA-C 114.766 1.395 . . . . 25.0 114.766 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 58.0 m -76.33 -24.33 54.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 122.258 1.028 . . . . 25.0 110.484 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 94.31 0.62 65.17 Favored Glycine 0 C--O 1.246 0.855 0 N-CA-C 109.881 -1.288 . . . . 25.0 109.881 -177.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -148.0 154.08 39.82 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 123.609 0.764 . . . . 25.0 109.951 -175.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 766' ' ' LEU . . . . . 0.432 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 13.6 mt -138.27 171.62 14.12 Favored 'General case' 0 CA--C 1.507 -0.68 0 N-CA-C 109.207 -0.664 . . . . 25.0 109.207 178.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -78.77 171.04 55.05 Favored Glycine 0 C--O 1.244 0.752 0 N-CA-C 110.835 -0.906 . . . . 25.0 110.835 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -66.7 -31.64 39.61 Favored 'Trans proline' 0 C--O 1.213 -0.735 0 C-N-CA 120.766 0.977 . . . . 25.0 112.351 -176.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -80.9 -37.95 28.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.28 0.562 . . . . 25.0 110.471 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -60.63 -53.53 56.39 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 116.225 -0.443 . . . . 25.0 110.532 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 771' ' ' PHE . . . . . 0.432 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -63.22 -28.43 70.03 Favored 'General case' 0 C--O 1.213 -0.868 0 N-CA-C 113.47 0.915 . . . . 25.0 113.47 174.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -67.46 -44.26 79.06 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 119.295 0.952 . . . . 25.0 110.93 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.44 -25.88 62.5 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.733 0.777 . . . . 25.0 109.893 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 51.5 t -61.75 -34.78 76.44 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 177.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 10.8 mt -66.65 -32.08 73.16 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-O 120.903 0.383 . . . . 25.0 110.834 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 57.9 mt -59.16 -33.71 51.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 N-CA-C 109.523 -0.547 . . . . 25.0 109.523 -176.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 76.5 p -62.97 -19.95 64.8 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 122.088 -0.383 . . . . 25.0 111.862 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 12.9 mt -93.81 -15.18 25.36 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.388 0.675 . . . . 25.0 111.054 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 117.5 24.7 3.37 Favored Glycine 0 C--O 1.218 -0.868 0 N-CA-C 115.624 1.01 . . . . 25.0 115.624 177.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -93.66 140.31 29.79 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.794 -0.817 . . . . 25.0 108.794 -178.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -94.11 42.45 1.1 Allowed 'General case' 0 N--CA 1.476 0.852 0 CA-C-O 122.585 1.183 . . . . 25.0 110.808 178.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 58.5 mt -115.22 82.33 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 N-CA-C 107.951 -1.129 . . . . 25.0 107.951 -178.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -130.72 58.73 0.7 Allowed Glycine 0 C--O 1.223 -0.575 0 N-CA-C 114.958 0.743 . . . . 25.0 114.958 -176.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 65.75 10.57 6.91 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.127 0.971 . . . . 25.0 112.221 -178.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -67.5 150.2 97.97 Favored Pre-proline 0 C--N 1.318 -0.766 0 N-CA-C 104.679 -2.341 . . . . 25.0 104.679 174.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -67.12 -17.93 50.91 Favored 'Trans proline' 0 C--O 1.217 -0.574 0 C-N-CA 115.698 -2.402 . . . . 25.0 113.871 -178.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -85.11 -36.33 21.21 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.206 -1.035 . . . . 25.0 108.206 178.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -65.8 -39.96 95.39 Favored Glycine 0 C--O 1.208 -1.5 0 N-CA-C 109.31 -1.516 . . . . 25.0 109.31 177.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.38 -35.49 79.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.652 -0.91 . . . . 25.0 111.156 177.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -65.42 -32.01 73.41 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.68 0.622 . . . . 25.0 112.68 -178.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -93.36 -21.15 19.72 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 121.76 0.791 . . . . 25.0 110.566 177.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -73.82 -34.63 64.65 Favored 'General case' 0 C--N 1.313 -0.982 0 O-C-N 121.069 -1.019 . . . . 25.0 108.854 176.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -58.63 -32.73 69.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.612 0.72 . . . . 25.0 111.357 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -85.22 -28.17 25.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.475 -0.766 . . . . 25.0 109.992 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 35.5 mt -67.43 -47.29 81.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 O-C-N 123.235 0.334 . . . . 25.0 110.343 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 24.0 ptm -61.03 -26.46 67.63 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.986 -0.446 . . . . 25.0 111.728 -178.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 59.4 m -74.21 -17.74 60.85 Favored 'General case' 0 C--O 1.214 -0.806 0 N-CA-C 111.707 0.262 . . . . 25.0 111.707 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 83.3 mt -94.99 -44.99 13.39 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.532 0 CA-C-O 122.576 1.179 . . . . 25.0 110.573 -177.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.442 ' HB ' HG13 ' A' ' 807' ' ' VAL . 26.2 m -77.42 -16.28 14.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 114.73 -1.123 . . . . 25.0 112.082 -177.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -152.84 64.83 5.49 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.029 0.831 . . . . 25.0 112.465 -175.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -71.45 -12.85 29.98 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 118.33 -0.647 . . . . 25.0 112.563 178.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.77 -12.94 58.35 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 122.997 0.519 . . . . 25.0 109.827 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 61.0 45.85 8.94 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 121.732 0.777 . . . . 25.0 110.775 179.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 85.7 mt -70.53 -23.68 62.68 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 113.978 -1.464 . . . . 25.0 109.291 176.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 86.03 16.46 63.02 Favored Glycine 0 CA--C 1.508 -0.38 0 CA-C-N 114.681 -1.145 . . . . 25.0 111.526 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 9.5 m -145.75 154.84 13.12 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 N-CA-C 109.978 -0.379 . . . . 25.0 109.978 -176.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 807' ' ' VAL . . . . . 0.442 HG13 ' HB ' ' A' ' 799' ' ' VAL . 16.6 t -127.62 132.94 68.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.057 -0.72 . . . . 25.0 109.057 -179.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.16 161.85 14.1 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.976 -0.379 . . . . 25.0 109.976 178.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -52.78 -43.25 65.73 Favored 'General case' 0 C--O 1.204 -1.332 0 CA-C-O 121.496 0.665 . . . . 25.0 109.925 178.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -20.24 59.87 Favored 'General case' 0 C--N 1.314 -0.946 0 O-C-N 121.662 -0.649 . . . . 25.0 110.281 -172.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -76.4 -42.59 43.79 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 119.945 -0.702 . . . . 25.0 110.994 -177.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.435 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.1 p90 -67.49 -29.53 68.98 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 119.005 -1.078 . . . . 25.0 110.051 178.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 19.9 mm -65.04 -25.56 37.93 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.618 0 O-C-N 121.516 -0.74 . . . . 25.0 110.705 176.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.01 -40.3 96.05 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.101 -0.999 . . . . 25.0 109.867 -178.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 815' ' ' PHE . . . . . 0.435 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 4.7 p90 -84.63 -19.88 32.25 Favored 'General case' 0 CA--C 1.5 -0.977 0 C-N-CA 119.411 -0.916 . . . . 25.0 112.442 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -60.27 -34.61 73.98 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 118.562 0.619 . . . . 25.0 109.895 -175.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 38.6 t -65.38 -27.86 68.86 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.702 0.763 . . . . 25.0 110.945 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -86.94 -27.13 23.52 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.078 -0.51 . . . . 25.0 110.845 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.02 -26.21 48.36 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 122.798 0.439 . . . . 25.0 110.171 -177.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 27.2 m -62.83 -28.78 70.25 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 107.3 -1.37 . . . . 25.0 107.3 174.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . 57.76 14.12 2.33 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 116.184 1.92 . . . . 25.0 116.184 175.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -81.34 163.39 22.91 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.938 0.399 . . . . 25.0 110.416 178.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 43.9 p -121.39 124.37 44.37 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.697 0.629 . . . . 25.0 112.697 -177.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -139.56 163.43 32.58 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 105.883 -1.895 . . . . 25.0 105.883 176.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 4.9 t -74.08 -24.71 59.53 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.807 1.41 . . . . 25.0 114.807 -174.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -76.56 -37.25 56.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 118.146 0.43 . . . . 25.0 110.065 -175.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -57.58 -37.81 73.78 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.365 -0.379 . . . . 25.0 110.943 178.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -60.04 -53.17 60.9 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-O 121.71 0.767 . . . . 25.0 111.666 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 12.6 p -75.06 -31.18 24.44 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.095 0 CA-C-N 115.54 -0.755 . . . . 25.0 111.061 -176.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 10.1 ttm -67.22 -42.5 83.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.998 -0.439 . . . . 25.0 110.319 177.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.1 -36.92 75.98 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.658 -0.867 . . . . 25.0 108.658 178.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 23.9 m -65.54 -45.29 84.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.491 0.662 . . . . 25.0 111.503 -178.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -63.71 -42.14 98.0 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.834 -0.541 . . . . 25.0 109.985 177.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -58.25 -27.49 64.03 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 113.962 1.097 . . . . 25.0 113.962 -176.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 42.3 mt -74.56 -42.23 48.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.532 -0.914 . . . . 25.0 108.532 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.54 -28.07 22.21 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 114.49 1.292 . . . . 25.0 114.49 -174.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -69.53 -44.09 71.7 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 107.809 -1.182 . . . . 25.0 107.809 -177.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 25.39 -83.7 0.0 OUTLIER Glycine 0 N--CA 1.443 -0.882 0 N-CA-C 118.586 2.194 . . . . 25.0 118.586 -175.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.11 -8.85 57.64 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 113.928 1.085 . . . . 25.0 113.928 -175.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -110.5 139.75 45.43 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 106.853 -1.536 . . . . 25.0 106.853 176.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -80.97 10.41 5.16 Favored 'General case' 0 C--N 1.319 -0.761 0 O-C-N 121.902 -0.499 . . . . 25.0 111.514 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . 0.41 ' HB3' ' CE1' ' A' ' 867' ' ' TYR . 9.1 p90 -150.07 174.13 13.09 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 109.329 -0.619 . . . . 25.0 109.329 -176.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 1.4 tp -128.74 152.46 36.93 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 N-CA-C 107.724 -1.214 . . . . 25.0 107.724 -175.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 66.9 p -106.81 158.76 16.75 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 120.46 -1.4 . . . . 25.0 107.691 174.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 76.2 mtm -57.47 -37.87 73.58 Favored 'General case' 0 C--O 1.21 -0.996 0 N-CA-C 109.707 -0.479 . . . . 25.0 109.707 176.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -62.58 -46.24 89.21 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.621 0.724 . . . . 25.0 112.577 -178.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.75 -47.71 65.59 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.057 -0.974 . . . . 25.0 111.012 -177.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.8 pp -66.67 -22.71 66.09 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 119.458 -0.897 . . . . 25.0 110.759 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -72.24 -12.73 61.29 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 113.193 0.812 . . . . 25.0 113.193 177.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -77.71 -25.15 49.15 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 121.503 0.668 . . . . 25.0 109.466 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -86.01 -40.46 15.78 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.198 -0.91 . . . . 25.0 109.793 -176.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.47 79.25 74.24 Favored Pre-proline 0 N--CA 1.45 -0.436 0 CA-C-N 116.569 -0.287 . . . . 25.0 110.55 -178.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.73 -31.07 69.9 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 N-CA-C 118.649 2.519 . . . . 25.0 118.649 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -76.42 -170.26 0.85 Allowed 'Trans proline' 0 C--N 1.363 1.32 0 C-N-CA 113.83 -3.647 . . . . 25.0 112.345 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -51.19 -16.0 0.44 Allowed 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.623 1.342 . . . . 25.0 114.623 -179.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -50.46 -40.31 50.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 118.972 0.806 . . . . 25.0 110.729 173.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -67.84 -39.52 83.84 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-O 120.732 0.301 . . . . 25.0 110.701 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -64.56 -42.05 95.92 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.624 -0.51 . . . . 25.0 109.624 -179.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -66.99 -31.63 72.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.083 -0.508 . . . . 25.0 109.669 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 35.8 m -67.84 -47.67 68.33 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 108.112 -1.07 . . . . 25.0 108.112 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 24.9 mt -61.6 -38.38 80.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-O 121.232 0.539 . . . . 25.0 110.345 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -67.83 -7.99 32.47 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.002 1.112 . . . . 25.0 114.002 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -117.74 -27.81 6.15 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.521 -0.737 . . . . 25.0 112.194 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . 0.469 ' HG3' ' HB2' ' A' ' 882' ' ' PHE . 16.1 ttm -66.42 142.65 57.52 Favored 'General case' 0 C--O 1.205 -1.27 0 N-CA-C 113.721 1.008 . . . . 25.0 113.721 -173.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -70.77 141.41 87.27 Favored Pre-proline 0 C--N 1.314 -0.953 0 CA-C-N 116.232 -0.44 . . . . 25.0 109.956 -177.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -74.4 148.21 37.87 Favored 'Trans proline' 0 C--O 1.223 -0.245 0 CA-C-O 121.618 0.591 . . . . 25.0 113.276 177.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . 0.41 ' CE1' ' HB3' ' A' ' 842' ' ' TYR . 78.2 t80 -110.49 126.95 54.9 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 -177.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 77.3 p -128.11 46.17 2.62 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 120.918 0.39 . . . . 25.0 110.493 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -93.01 -168.3 39.19 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 121.146 -0.55 . . . . 25.0 113.622 -175.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -70.02 -26.32 26.47 Favored 'Trans proline' 0 C--O 1.214 -0.695 0 C-N-CA 121.559 1.506 . . . . 25.0 115.613 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -107.4 33.79 3.84 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 107.317 -1.364 . . . . 25.0 107.317 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 25.7 p -78.17 146.96 34.73 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 122.132 0.968 . . . . 25.0 112.634 -175.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 18.0 m -131.42 164.09 44.95 Favored Pre-proline 0 C--N 1.318 -0.762 0 N-CA-C 105.711 -1.959 . . . . 25.0 105.711 178.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -57.82 -18.09 32.79 Favored 'Trans proline' 0 CA--C 1.536 0.583 0 N-CA-C 115.622 1.355 . . . . 25.0 115.622 -176.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -117.27 35.96 3.91 Favored Glycine 0 C--O 1.223 -0.593 0 CA-C-O 121.191 0.328 . . . . 25.0 112.973 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -90.84 137.55 32.27 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 112.953 0.723 . . . . 25.0 112.953 -178.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 44.1 mt -136.69 140.03 42.39 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.3 -1.0 . . . . 25.0 108.3 -177.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -90.32 103.14 15.85 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 122.613 1.197 . . . . 25.0 108.639 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -75.69 -30.72 59.43 Favored 'General case' 0 C--O 1.198 -1.633 0 CA-C-N 114.931 -1.031 . . . . 25.0 109.857 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 2.9 mmm -67.8 -30.46 69.89 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 108.317 -0.994 . . . . 25.0 108.317 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 2.5 t -90.29 -12.25 38.4 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.312 1.054 . . . . 25.0 113.818 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . 0.469 ' HB2' ' HG3' ' A' ' 864' ' ' MET . 1.9 t80 -60.52 -50.6 72.92 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 114.311 1.226 . . . . 25.0 114.311 -173.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 28.5 m -66.95 -16.73 64.53 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.254 0.835 . . . . 25.0 113.254 -178.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 68.8 p -99.35 -10.68 21.99 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.884 0.698 . . . . 25.0 112.884 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -152.29 79.53 1.24 Allowed 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.313 0.578 . . . . 25.0 110.93 -177.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 5.3 mp -90.05 134.94 33.95 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.264 -1.384 . . . . 25.0 107.264 176.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -111.39 -14.51 13.74 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.304 1.224 . . . . 25.0 114.304 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -105.04 8.09 45.11 Favored Glycine 0 C--O 1.217 -0.935 0 CA-C-O 119.891 -0.394 . . . . 25.0 114.02 -177.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -125.93 21.39 7.55 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 106.361 -1.718 . . . . 25.0 106.361 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 1.2 m -97.33 -20.94 17.51 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 115.002 -0.999 . . . . 25.0 112.085 -178.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -138.52 20.26 2.72 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 107.726 -1.213 . . . . 25.0 107.726 -177.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.245 0.857 0 N-CA-C 108.488 -0.93 . . . . 25.0 108.488 -178.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.071 0 N-CA-C 111.591 -0.604 . . . . 25.0 111.591 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 16.3 t -153.85 168.13 27.37 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 106.325 -1.731 . . . . 25.0 106.325 178.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 8.7 t -148.31 150.82 34.31 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 106.486 -1.672 . . . . 25.0 106.486 178.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 2.1 mt -69.3 128.57 32.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 122.625 1.202 . . . . 25.0 111.373 -177.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 2.1 m -84.67 169.26 14.5 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 113.637 -1.62 . . . . 25.0 108.261 175.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -64.01 -35.02 79.33 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.727 -1.233 . . . . 25.0 110.5 178.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -74.14 -22.86 59.27 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 122.73 0.412 . . . . 25.0 110.961 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.59 -57.34 4.21 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 121.239 0.543 . . . . 25.0 109.56 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 24.2 ptp -57.11 -25.97 59.69 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 120.15 -0.62 . . . . 25.0 110.925 178.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -56.22 20.92 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.203 -0.453 . . . . 25.0 109.982 179.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -71.67 -32.36 67.79 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 110.025 -0.361 . . . . 25.0 110.025 -177.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -58.63 -48.47 80.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.37 0.605 . . . . 25.0 109.765 175.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -66.67 -42.86 85.92 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 116.122 -0.49 . . . . 25.0 110.336 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.37 -40.02 93.0 Favored 'General case' 0 C--O 1.212 -0.889 0 C-N-CA 120.994 -0.282 . . . . 25.0 111.25 -177.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 47.5 m -66.22 -44.23 84.42 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 117.904 0.32 . . . . 25.0 110.801 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -40.68 96.47 Favored 'General case' 0 C--O 1.208 -1.107 0 N-CA-C 108.906 -0.775 . . . . 25.0 108.906 177.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.69 -34.74 76.17 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 112.642 0.608 . . . . 25.0 112.642 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -67.11 -36.76 82.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.841 0.829 . . . . 25.0 110.126 -178.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -84.58 -35.12 22.98 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 115.776 -0.647 . . . . 25.0 110.07 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -91.48 71.05 5.97 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 122.958 1.361 . . . . 25.0 109.148 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 46.4 mtm-85 -69.85 -9.58 55.34 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 113.481 -1.691 . . . . 25.0 110.51 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -92.95 -4.66 52.33 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.4 0.619 . . . . 25.0 109.628 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 20.4 p80 42.41 38.43 1.21 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.029 1.332 . . . . 25.0 113.566 -175.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 42.1 t -70.08 -25.25 63.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.982 0.896 . . . . 25.0 109.922 178.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 94.2 1.18 64.97 Favored Glycine 0 N--CA 1.451 -0.3 0 N-CA-C 109.015 -1.634 . . . . 25.0 109.015 -178.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 2.1 p -145.11 155.26 43.21 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 123.464 0.705 . . . . 25.0 110.096 -176.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 766' ' ' LEU . . . . . 0.503 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 14.5 mt -140.02 169.5 17.59 Favored 'General case' 0 CA--C 1.503 -0.857 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 176.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -75.5 171.14 54.34 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.018 -0.833 . . . . 25.0 111.018 -178.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -64.63 -36.73 40.62 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 CA-C-N 118.398 1.099 . . . . 25.0 112.852 -177.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -78.7 -34.4 46.1 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.003 0.43 . . . . 25.0 111.257 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -62.65 -56.24 19.56 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.531 -0.544 . . . . 25.0 109.531 178.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 771' ' ' PHE . . . . . 0.503 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -59.51 -32.84 70.66 Favored 'General case' 0 C--O 1.217 -0.639 0 N-CA-C 112.984 0.735 . . . . 25.0 112.984 174.724 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -60.76 -47.85 84.43 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 119.137 0.88 . . . . 25.0 109.765 176.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -71.04 -24.58 62.37 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.67 0.748 . . . . 25.0 111.431 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 50.7 t -64.23 -34.62 78.51 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.736 -0.838 . . . . 25.0 108.736 176.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 9.4 mt -67.95 -34.26 76.23 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 121.822 -0.549 . . . . 25.0 109.728 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 57.3 mt -60.23 -31.49 48.37 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 CA-C-O 121.336 0.589 . . . . 25.0 110.085 -177.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 15.7 m -62.65 -21.13 65.47 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.435 0.531 . . . . 25.0 112.435 178.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 16.0 mt -94.6 -17.11 22.64 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 115.611 -0.722 . . . . 25.0 110.775 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 116.64 29.55 2.23 Favored Glycine 0 C--O 1.225 -0.424 0 CA-C-N 115.226 -0.897 . . . . 25.0 114.955 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -95.29 141.57 28.71 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.133 -1.432 . . . . 25.0 107.133 -178.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -96.59 39.63 1.16 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.15 0.976 . . . . 25.0 108.793 177.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 58.9 mt -113.15 98.46 7.04 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 N-CA-C 106.913 -1.514 . . . . 25.0 106.913 -177.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -131.15 -151.74 7.09 Favored Glycine 0 C--N 1.314 -0.654 0 N-CA-C 107.207 -2.357 . . . . 25.0 107.207 -178.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -89.33 12.47 16.09 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.596 0.712 . . . . 25.0 109.204 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.82 152.58 95.09 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 104.894 -2.261 . . . . 25.0 104.894 173.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -68.52 -20.86 40.86 Favored 'Trans proline' 0 CA--C 1.516 -0.399 0 N-CA-C 114.518 0.93 . . . . 25.0 114.518 -171.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -79.08 -39.26 34.25 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.794 -1.188 . . . . 25.0 107.794 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -67.58 -45.1 79.82 Favored Glycine 0 C--O 1.203 -1.791 0 N-CA-C 108.737 -1.745 . . . . 25.0 108.737 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.21 -37.4 74.75 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 117.148 0.474 . . . . 25.0 111.155 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -61.78 -37.37 84.07 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.098 0.407 . . . . 25.0 112.098 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -91.3 -25.24 19.54 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.344 0.592 . . . . 25.0 110.51 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.5 -34.17 77.32 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.881 -1.155 . . . . 25.0 107.881 177.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -60.4 -27.05 67.14 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 121.516 0.674 . . . . 25.0 110.79 177.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -80.34 -43.58 20.93 Favored 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 108.389 -0.967 . . . . 25.0 108.389 178.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 65.2 mt -59.43 -49.59 83.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 113.956 -1.474 . . . . 25.0 110.376 -176.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 23.4 ptm -59.95 -29.21 68.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.845 0.355 . . . . 25.0 111.363 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 42.6 m -76.44 -16.84 59.59 Favored 'General case' 0 C--N 1.32 -0.699 0 O-C-N 122.203 -0.311 . . . . 25.0 111.788 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 68.4 mt -98.01 -47.73 12.37 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.699 0 CA-C-O 120.994 0.426 . . . . 25.0 110.048 -177.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.409 ' HB ' HG13 ' A' ' 807' ' ' VAL . 29.2 m -74.56 -16.04 16.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.271 -0.422 . . . . 25.0 111.82 -178.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -147.36 64.67 8.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 114.525 1.306 . . . . 25.0 114.525 -176.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -75.74 -4.63 15.48 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 117.342 -1.305 . . . . 25.0 111.078 175.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.39 -14.32 38.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.754 -0.657 . . . . 25.0 111.545 -177.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 61.01 49.79 5.5 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 122.082 0.944 . . . . 25.0 110.91 -176.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 67.6 mt -70.53 -26.89 63.78 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 105.883 -1.895 . . . . 25.0 105.883 173.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 83.55 15.71 70.39 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 109.26 -1.536 . . . . 25.0 109.26 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 11.4 m -155.34 163.8 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.609 0 N-CA-C 108.455 -0.943 . . . . 25.0 108.455 -172.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 807' ' ' VAL . . . . . 0.409 HG13 ' HB ' ' A' ' 799' ' ' VAL . 13.4 t -126.97 131.78 70.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.511 -0.768 . . . . 25.0 109.631 -178.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.31 159.09 15.17 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 108.541 -0.911 . . . . 25.0 108.541 178.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -51.86 -43.13 63.12 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.649 -0.705 . . . . 25.0 110.431 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -22.03 60.8 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 121.52 -0.737 . . . . 25.0 110.499 -175.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -77.13 -40.9 43.97 Favored 'General case' 0 C--O 1.216 -0.707 0 C-N-CA 119.885 -0.726 . . . . 25.0 111.618 -176.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.412 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.0 OUTLIER -68.29 -31.38 70.79 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.122 -0.986 . . . . 25.0 109.529 177.088 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 13.7 mm -63.95 -29.12 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 109.258 -0.645 . . . . 25.0 109.258 177.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -60.69 -46.09 91.69 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 109.838 -0.43 . . . . 25.0 109.838 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 815' ' ' PHE . . . . . 0.412 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 4.3 p90 -79.93 -25.46 40.48 Favored 'General case' 0 CA--C 1.512 -0.497 0 C-N-CA 119.251 -0.98 . . . . 25.0 111.068 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -64.64 -35.52 81.29 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 105.8 -1.926 . . . . 25.0 105.8 -177.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.71 -28.56 64.83 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 115.819 -0.628 . . . . 25.0 111.106 177.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -77.05 -34.45 57.2 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.556 0.576 . . . . 25.0 112.556 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -77.88 -17.8 56.91 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 119.804 -0.759 . . . . 25.0 111.543 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 39.9 p -102.6 7.87 39.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.419 0.628 . . . . 25.0 110.128 178.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -83.36 13.89 4.02 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.512 1.301 . . . . 25.0 114.512 -177.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -84.34 161.53 20.37 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.493 0.663 . . . . 25.0 112.521 -177.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 73.3 p 51.96 63.47 2.23 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 118.602 2.816 . . . . 25.0 118.602 177.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -122.56 130.27 52.83 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 106.083 -1.821 . . . . 25.0 106.083 170.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 74.3 p -127.22 0.12 6.42 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.62 0.6 . . . . 25.0 112.62 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -76.09 -43.48 43.29 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.887 0.699 . . . . 25.0 112.887 -173.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.2 -35.61 81.36 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 122.044 0.926 . . . . 25.0 111.722 -178.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -56.46 -44.76 80.84 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.89 1.07 . . . . 25.0 113.89 -175.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 6.2 p -69.38 -38.95 78.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 C-N-CA 120.735 -0.386 . . . . 25.0 110.999 -173.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 6.1 tpt -69.24 -40.99 77.58 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 109.255 -0.646 . . . . 25.0 109.255 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.45 93.61 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.894 -0.594 . . . . 25.0 110.349 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 47.6 m -64.32 -39.36 93.75 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.494 0.553 . . . . 25.0 112.494 -178.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -64.32 -35.41 80.78 Favored 'General case' 0 C--O 1.214 -0.79 0 O-C-N 121.332 -0.855 . . . . 25.0 110.231 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -64.64 -25.04 67.78 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.362 -0.535 . . . . 25.0 111.772 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 66.5 mt -79.87 -45.18 23.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 108.606 -0.887 . . . . 25.0 108.606 -178.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.49 -23.11 32.32 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 119.676 -0.81 . . . . 25.0 111.985 -173.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.746 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -107.8 17.56 22.38 Favored 'General case' 0 C--O 1.209 -1.064 0 O-C-N 122.258 -0.276 . . . . 25.0 111.669 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -65.74 -24.46 71.3 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 107.845 -2.102 . . . . 25.0 107.845 171.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -69.96 -19.55 63.35 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.43 0.529 . . . . 25.0 112.43 176.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -131.28 -166.03 1.65 Allowed 'General case' 0 C--O 1.214 -0.796 0 O-C-N 121.692 -0.63 . . . . 25.0 109.693 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -117.17 13.08 14.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.558 -0.714 . . . . 25.0 109.846 174.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . 0.408 ' HB3' ' CE2' ' A' ' 867' ' ' TYR . 6.4 p90 -160.95 178.73 9.1 Favored 'General case' 0 CA--C 1.511 -0.551 0 N-CA-C 108.744 -0.836 . . . . 25.0 108.744 -177.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . 0.746 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.3 OUTLIER -134.97 152.96 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 N-CA-C 109.001 -0.74 . . . . 25.0 109.001 -179.431 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 41.8 p -105.03 159.06 16.12 Favored 'General case' 0 CA--C 1.495 -1.135 0 N-CA-C 107.815 -1.18 . . . . 25.0 107.815 174.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 72.7 mtm -58.34 -33.4 69.49 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.31 -0.859 . . . . 25.0 110.351 175.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -71.87 -32.49 67.52 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.481 -0.781 . . . . 25.0 111.084 -178.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -76.49 -49.73 15.79 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 120.694 0.283 . . . . 25.0 110.582 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 2.0 pp -65.77 -26.93 67.94 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.498 -0.881 . . . . 25.0 112.177 -176.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 24.2 ptt85 -71.53 -11.59 60.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.573 -0.704 . . . . 25.0 112.014 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -73.14 -27.12 61.49 Favored 'General case' 0 CA--C 1.513 -0.45 0 O-C-N 121.633 -0.667 . . . . 25.0 109.218 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -83.37 -43.05 16.34 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 114.77 -1.104 . . . . 25.0 110.135 -177.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.8 80.73 71.56 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.347 -0.842 . . . . 25.0 109.191 -178.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -63.63 -23.71 69.94 Favored 'Trans proline' 0 CA--C 1.556 1.583 0 N-CA-C 119.583 2.878 . . . . 25.0 119.583 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -79.38 -165.42 0.34 Allowed 'Trans proline' 0 C--N 1.365 1.413 0 C-N-CA 113.738 -3.708 . . . . 25.0 111.731 176.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -49.67 -17.54 0.34 Allowed 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 114.598 1.333 . . . . 25.0 114.598 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -53.05 -39.06 62.97 Favored 'General case' 0 C--O 1.219 -0.51 0 O-C-N 121.853 -0.529 . . . . 25.0 110.833 176.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -61.32 -42.74 99.17 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 122.348 -0.22 . . . . 25.0 111.195 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -67.17 -39.97 86.52 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.246 0.546 . . . . 25.0 110.089 -177.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -65.15 -30.95 71.91 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.005 -0.739 . . . . 25.0 109.005 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 57.2 m -73.96 -42.5 60.42 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 116.366 -0.379 . . . . 25.0 110.343 178.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 22.7 mt -62.84 -40.27 88.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.303 -0.629 . . . . 25.0 109.303 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -62.49 -28.17 69.65 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 121.041 0.448 . . . . 25.0 111.389 178.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . 0.411 ' HB3' ' CE1' ' A' ' 882' ' ' PHE . 4.3 mpt_? -93.05 -20.91 20.08 Favored 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 112.365 0.506 . . . . 25.0 112.365 -178.474 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 3.5 ttm -74.2 167.3 21.87 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 113.708 1.003 . . . . 25.0 113.708 -175.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -99.94 143.57 26.73 Favored Pre-proline 0 C--O 1.217 -0.639 0 N-CA-C 107.828 -1.175 . . . . 25.0 107.828 -178.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -75.21 152.38 39.72 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 CA-C-N 118.686 0.566 . . . . 25.0 113.352 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . 0.408 ' CE2' ' HB3' ' A' ' 842' ' ' TYR . 47.9 t80 -119.35 125.37 48.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.769 -0.65 . . . . 25.0 112.394 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 72.8 p -128.23 42.21 3.36 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 109.555 -0.535 . . . . 25.0 109.555 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -85.16 -166.55 41.98 Favored Glycine 0 CA--C 1.524 0.636 0 CA-C-O 119.609 -0.55 . . . . 25.0 113.891 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -69.95 -30.61 21.12 Favored 'Trans proline' 0 N--CA 1.475 0.441 0 CA-C-N 118.971 1.386 . . . . 25.0 114.641 -177.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -97.29 23.46 7.47 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 108.889 -0.782 . . . . 25.0 108.889 -177.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 87.7 p -75.0 151.56 38.77 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 122.758 1.266 . . . . 25.0 113.59 -172.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 12.1 m -137.38 162.47 54.92 Favored Pre-proline 0 C--N 1.319 -0.745 0 N-CA-C 103.054 -2.943 . . . . 25.0 103.054 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.07 -23.98 63.63 Favored 'Trans proline' 0 C--N 1.349 0.588 0 N-CA-C 114.994 1.113 . . . . 25.0 114.994 -178.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -106.6 34.19 5.91 Favored Glycine 0 CA--C 1.51 -0.251 0 C-N-CA 121.748 -0.263 . . . . 25.0 113.475 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -92.5 137.49 32.32 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.423 0.63 . . . . 25.0 111.15 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 49.8 mt -135.56 138.36 42.93 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.895 -1.15 . . . . 25.0 107.895 -179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -87.24 102.09 14.15 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 106.91 -1.515 . . . . 25.0 106.91 178.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -73.23 -33.58 65.41 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.255 -0.884 . . . . 25.0 109.439 -178.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 14.1 ttp -67.99 -22.93 64.98 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.624 -0.716 . . . . 25.0 109.321 -176.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 4.3 t -86.18 -24.17 26.24 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.357 -0.838 . . . . 25.0 112.771 177.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . 0.411 ' CE1' ' HB3' ' A' ' 863' ' ' ARG . 7.2 t80 -56.04 -43.41 77.81 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.315 0.578 . . . . 25.0 111.679 -179.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.09 -23.19 4.96 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 114.945 1.461 . . . . 25.0 114.945 176.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 15.3 t -117.06 -3.43 11.56 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.721 1.008 . . . . 25.0 113.721 178.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -154.2 127.61 8.55 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 122.022 -0.424 . . . . 25.0 111.88 -177.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -144.93 149.38 35.15 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.041 -1.096 . . . . 25.0 108.041 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -127.7 -9.3 5.59 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 114.249 1.203 . . . . 25.0 114.249 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -85.62 40.92 3.04 Favored Glycine 0 N--CA 1.459 0.198 0 N-CA-C 115.493 0.957 . . . . 25.0 115.493 -175.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -103.15 146.07 28.97 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 107.859 -1.163 . . . . 25.0 107.859 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 67.6 m -137.22 177.41 7.88 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.482 -0.562 . . . . 25.0 109.482 -176.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -91.27 15.94 10.98 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 123.47 0.708 . . . . 25.0 110.666 178.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 3.1 tm? . . . . . 0 C--O 1.246 0.892 0 CA-C-N 115.138 -0.937 . . . . 25.0 109.402 -178.884 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 CA-C-O 118.916 -0.936 . . . . 25.0 111.262 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 53.2 p -142.87 172.82 12.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 118.273 1.037 . . . . 25.0 109.711 -176.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.26 150.95 41.91 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.278 -0.638 . . . . 25.0 109.278 179.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 3.8 mt -62.41 120.12 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 122.846 1.308 . . . . 25.0 113.205 -177.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 29.0 m -91.95 176.9 6.34 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 112.917 -1.947 . . . . 25.0 107.647 173.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -62.72 -36.25 82.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.216 -0.927 . . . . 25.0 109.538 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 15.9 pm0 -73.24 -23.47 60.35 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 123.596 0.758 . . . . 25.0 111.349 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.69 -57.65 3.75 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-O 121.296 0.57 . . . . 25.0 110.676 178.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 23.8 ptp -55.03 -27.15 42.3 Favored 'General case' 0 C--O 1.212 -0.89 0 C-N-CA 120.675 -0.41 . . . . 25.0 110.611 177.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.49 -56.35 22.48 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.186 -0.461 . . . . 25.0 111.098 179.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . 0.422 ' H ' ' HG2' ' A' ' 750' ' ' GLU . 13.9 pt-20 -69.35 -30.53 68.57 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.84 -0.43 . . . . 25.0 109.84 -177.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -63.93 -48.75 75.33 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.319 0.581 . . . . 25.0 111.683 174.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -66.52 -39.24 88.52 Favored 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 121.817 -0.552 . . . . 25.0 109.727 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.18 -39.12 78.9 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.62 0.6 . . . . 25.0 112.62 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 12.1 p -67.02 -43.35 83.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 118.51 0.596 . . . . 25.0 110.825 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -40.98 92.65 Favored 'General case' 0 C--O 1.211 -0.949 0 N-CA-C 108.673 -0.862 . . . . 25.0 108.673 177.073 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.48 -30.83 67.74 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.65 0.611 . . . . 25.0 112.65 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -69.44 -34.6 74.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.01 0.434 . . . . 25.0 109.867 -178.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -88.25 -36.87 16.48 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.939 -0.573 . . . . 25.0 110.049 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . 0.439 ' HA ' HD21 ' A' ' 766' ' ' LEU . 55.2 t0 -91.3 70.64 6.11 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 122.568 1.175 . . . . 25.0 108.756 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -79.89 -0.35 34.54 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.074 -1.421 . . . . 25.0 110.704 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -92.74 -11.46 33.83 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.262 -1.385 . . . . 25.0 107.262 176.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 53.83 37.74 27.09 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 114.333 -1.303 . . . . 25.0 112.484 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 43.3 t -70.18 -28.16 65.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.933 -1.031 . . . . 25.0 110.349 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 94.21 1.85 64.49 Favored Glycine 0 C--O 1.24 0.486 0 N-CA-C 109.456 -1.457 . . . . 25.0 109.456 -178.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -150.27 151.63 33.27 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 108.895 -0.78 . . . . 25.0 108.895 -175.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 766' ' ' LEU . . . . . 0.467 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 20.6 mt -134.9 174.34 10.71 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 107.105 -1.442 . . . . 25.0 107.105 176.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -85.46 179.4 50.49 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.141 -1.184 . . . . 25.0 110.141 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.29 -29.7 20.93 Favored 'Trans proline' 0 C--O 1.222 -0.28 0 C-N-CA 121.095 1.197 . . . . 25.0 113.593 -175.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.05 -40.32 31.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.787 0.803 . . . . 25.0 109.414 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -66.41 -53.76 32.05 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.455 -0.793 . . . . 25.0 110.914 -177.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 771' ' ' PHE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.4 OUTLIER -59.09 -31.69 69.13 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 112.636 0.606 . . . . 25.0 112.636 174.188 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -63.76 -46.4 85.46 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.864 0.756 . . . . 25.0 109.967 177.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -72.19 -24.52 61.43 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.408 0.623 . . . . 25.0 111.235 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 46.9 t -64.0 -34.34 77.78 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.972 -0.751 . . . . 25.0 108.972 176.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.52 -33.79 75.78 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-O 121.23 0.538 . . . . 25.0 109.645 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 60.8 mt -59.5 -32.66 49.39 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 O-C-N 121.933 -0.479 . . . . 25.0 110.048 -178.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.84 -16.72 59.66 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.594 0.59 . . . . 25.0 112.594 177.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 16.9 mt -97.46 -20.76 17.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.339 -0.391 . . . . 25.0 110.744 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 121.02 32.21 1.1 Allowed Glycine 0 C--O 1.221 -0.672 0 CA-C-N 115.874 -0.603 . . . . 25.0 114.503 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -98.45 143.84 28.45 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 106.261 -1.755 . . . . 25.0 106.261 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -99.5 33.63 2.43 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 122.226 1.012 . . . . 25.0 110.634 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 72.5 mt -101.21 76.76 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 105.589 -2.004 . . . . 25.0 105.589 -178.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -141.5 74.46 0.35 Allowed Glycine 0 C--O 1.219 -0.813 0 N-CA-C 116.901 1.52 . . . . 25.0 116.901 -175.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 44.8 t30 70.2 7.87 6.41 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.348 1.059 . . . . 25.0 112.44 178.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -82.09 149.91 63.67 Favored Pre-proline 0 C--N 1.314 -0.94 0 N-CA-C 105.978 -1.86 . . . . 25.0 105.978 175.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -70.54 -20.58 30.99 Favored 'Trans proline' 0 C--O 1.224 -0.2 0 C-N-CA 116.904 -1.597 . . . . 25.0 112.94 -177.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -80.49 -36.15 33.76 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.134 -1.062 . . . . 25.0 108.134 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -65.38 -47.68 76.85 Favored Glycine 0 C--O 1.211 -1.339 0 N-CA-C 109.124 -1.591 . . . . 25.0 109.124 177.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.9 -33.79 69.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 118.064 0.932 . . . . 25.0 112.129 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -64.68 -35.16 80.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.475 -0.33 . . . . 25.0 111.295 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . 0.466 ' HB2' ' HE ' ' A' ' 794' ' ' ARG . 14.7 pt-20 -95.63 -17.64 21.18 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 121.889 0.852 . . . . 25.0 111.527 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.7 -32.74 68.13 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 106.733 -1.58 . . . . 25.0 106.733 174.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.52 -33.74 71.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.987 -0.551 . . . . 25.0 111.889 178.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . 0.466 ' HE ' ' HB2' ' A' ' 791' ' ' GLU . 23.1 ptt85 -82.7 -28.97 30.2 Favored 'General case' 0 C--O 1.215 -0.724 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.437 HG23 ' CE2' ' A' ' 815' ' ' PHE . 42.3 mt -68.26 -51.48 47.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.852 -0.425 . . . . 25.0 109.852 -178.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 18.6 ptt? -59.68 -29.41 68.06 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-O 120.853 0.359 . . . . 25.0 111.287 -178.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 50.7 m -72.08 -20.25 61.68 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.175 0.435 . . . . 25.0 112.175 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 66.4 mt -95.43 -47.14 13.18 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.62 0 CA-C-O 121.221 0.534 . . . . 25.0 110.813 -176.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 31.7 m -76.33 -14.04 14.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.929 -0.578 . . . . 25.0 111.735 -176.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -153.8 68.74 6.28 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-O 121.75 0.786 . . . . 25.0 111.033 -176.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -72.05 -7.67 21.47 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 118.157 -0.762 . . . . 25.0 112.621 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -91.48 -10.16 41.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.366 -0.379 . . . . 25.0 110.874 -178.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 58.57 49.02 11.05 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.796 0.808 . . . . 25.0 110.585 -177.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 85.4 mt -71.76 -26.19 62.35 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.573 -1.194 . . . . 25.0 107.938 175.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 89.51 19.42 48.99 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.225 -0.898 . . . . 25.0 111.801 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 14.8 m -144.64 153.45 14.81 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 CA-C-O 121.198 0.523 . . . . 25.0 110.62 -176.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 12.5 t -131.41 131.48 63.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.486 -0.779 . . . . 25.0 109.703 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -96.95 160.74 14.18 Favored 'General case' 0 CA--C 1.503 -0.85 0 N-CA-C 109.22 -0.659 . . . . 25.0 109.22 178.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -53.84 -42.06 68.07 Favored 'General case' 0 C--O 1.213 -0.822 0 CA-C-N 115.309 -0.86 . . . . 25.0 110.005 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -22.3 59.32 Favored 'General case' 0 C--N 1.318 -0.791 0 O-C-N 121.602 -0.686 . . . . 25.0 109.646 -174.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -75.47 -42.89 52.0 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 119.968 -0.693 . . . . 25.0 111.027 -177.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.451 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.0 OUTLIER -66.26 -30.59 71.05 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 119.272 -0.971 . . . . 25.0 110.288 178.214 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 18.8 mm -63.82 -26.97 41.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.336 0.588 . . . . 25.0 110.548 177.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.06 -43.74 94.56 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 119.446 -0.902 . . . . 25.0 110.627 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 815' ' ' PHE . . . . . 0.451 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.2 p90 -80.37 -24.5 39.75 Favored 'General case' 0 CA--C 1.505 -0.777 0 C-N-CA 119.256 -0.978 . . . . 25.0 111.38 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.33 -33.54 75.74 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 107.04 -1.467 . . . . 25.0 107.04 -178.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 27.9 t -64.78 -26.21 68.25 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.063 0.459 . . . . 25.0 111.526 177.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -85.68 -36.71 20.09 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 112.345 0.498 . . . . 25.0 112.345 -179.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -79.14 -35.61 41.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.538 0.685 . . . . 25.0 109.979 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.69 27.57 3.41 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 122.457 1.123 . . . . 25.0 111.054 -179.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -67.81 19.22 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.006 0 CA-C-N 114.046 -1.434 . . . . 25.0 114.628 -178.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -139.47 159.44 42.15 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 106.424 -1.695 . . . . 25.0 106.424 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 24.3 m -126.17 89.87 3.09 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.927 0.87 . . . . 25.0 111.897 -176.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -64.15 122.66 17.13 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.595 -1.184 . . . . 25.0 108.157 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 31.7 p -66.07 -30.94 71.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.191 -0.459 . . . . 25.0 111.939 -177.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -72.61 -35.26 67.82 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.906 -0.405 . . . . 25.0 109.906 -179.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -66.59 -31.46 72.17 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.83 0.348 . . . . 25.0 111.246 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -61.29 -48.4 81.54 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.455 0.645 . . . . 25.0 110.953 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 11.6 p -75.27 -28.59 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.128 -0.693 . . . . 25.0 109.128 -177.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -37.25 84.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.019 -0.426 . . . . 25.0 109.892 177.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.96 83.95 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.603 -0.518 . . . . 25.0 109.603 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 9.6 m -62.86 -41.14 99.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.061 0.458 . . . . 25.0 111.351 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -69.14 -33.97 74.27 Favored 'General case' 0 C--O 1.22 -0.454 0 O-C-N 121.719 -0.613 . . . . 25.0 110.014 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -63.04 -21.59 66.27 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-O 120.852 0.358 . . . . 25.0 111.054 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 83.2 mt -72.81 -46.03 54.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.13 -1.063 . . . . 25.0 108.13 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.74 -29.43 25.52 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.522 0.677 . . . . 25.0 111.624 -173.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.664 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -108.66 17.46 21.92 Favored 'General case' 0 C--O 1.206 -1.213 0 CA-C-N 115.359 -0.837 . . . . 25.0 112.893 -177.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -62.47 -25.18 66.69 Favored Glycine 0 C--N 1.318 -0.442 0 N-CA-C 108.023 -2.031 . . . . 25.0 108.023 171.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -74.0 -18.82 60.81 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.673 0.62 . . . . 25.0 112.673 177.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -130.14 179.93 5.6 Favored 'General case' 0 C--O 1.21 -0.988 0 CA-C-N 119.074 0.852 . . . . 25.0 111.645 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -104.1 11.67 34.9 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.679 -0.638 . . . . 25.0 109.323 175.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . 0.434 ' HB3' ' CE2' ' A' ' 867' ' ' TYR . 5.9 p90 -160.33 178.21 9.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.337 -0.392 . . . . 25.0 110.421 -176.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . 0.664 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.2 OUTLIER -137.04 157.1 35.3 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.861 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 -177.831 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 41.8 p -106.8 161.79 14.36 Favored 'General case' 0 CA--C 1.501 -0.933 0 O-C-N 120.994 -1.066 . . . . 25.0 109.222 173.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 13.7 mtm -55.87 -40.32 72.75 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.839 -1.073 . . . . 25.0 109.784 176.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -71.21 -34.31 70.72 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.456 -0.793 . . . . 25.0 112.912 -177.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -70.15 -45.91 65.81 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.749 0.309 . . . . 25.0 110.859 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.7 pp -67.93 -26.46 65.98 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.833 -0.542 . . . . 25.0 110.521 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -66.55 -12.24 56.74 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.235 0.457 . . . . 25.0 112.235 177.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . 0.463 ' HG2' ' HG2' ' A' ' 851' ' ' GLU . 15.6 ptt180 -78.35 -27.46 47.03 Favored 'General case' 0 C--O 1.224 -0.263 0 N-CA-C 108.903 -0.777 . . . . 25.0 108.903 179.1 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . 0.463 ' HG2' ' HG2' ' A' ' 850' ' ' ARG . 25.5 mm-40 -85.74 -39.31 17.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.483 -0.78 . . . . 25.0 110.167 -175.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.19 77.01 77.43 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 115.842 -0.617 . . . . 25.0 110.099 179.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.21 -32.24 79.58 Favored 'Trans proline' 0 CA--C 1.553 1.432 0 N-CA-C 118.895 2.613 . . . . 25.0 118.895 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -77.48 -166.39 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.23 0 C-N-CA 114.794 -3.004 . . . . 25.0 112.809 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -49.82 -19.13 0.6 Allowed 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.739 1.385 . . . . 25.0 114.739 -178.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -50.17 -40.83 48.0 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 121.845 -0.534 . . . . 25.0 111.671 175.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.28 98.26 Favored 'General case' 0 C--O 1.214 -0.764 0 C-N-CA 121.058 -0.257 . . . . 25.0 111.492 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -65.96 -41.4 91.26 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.217 0.532 . . . . 25.0 109.681 -178.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -67.4 -26.68 66.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.278 -0.419 . . . . 25.0 110.622 175.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 39.5 m -73.29 -44.54 58.97 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 108.902 -0.777 . . . . 25.0 108.902 177.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 22.8 mt -62.35 -35.65 70.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.233 -0.654 . . . . 25.0 109.233 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.69 -8.28 19.9 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.528 0.936 . . . . 25.0 113.528 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -124.05 -33.57 3.09 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.027 1.121 . . . . 25.0 114.027 177.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 34.7 ttm -61.63 146.37 49.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.596 0.712 . . . . 25.0 112.062 -175.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -72.57 141.91 83.25 Favored Pre-proline 0 C--O 1.211 -0.929 0 CA-C-N 115.657 -0.701 . . . . 25.0 110.11 -171.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -75.9 145.41 28.45 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 CA-C-O 121.738 0.641 . . . . 25.0 112.079 177.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . 0.434 ' CE2' ' HB3' ' A' ' 842' ' ' TYR . 63.6 t80 -111.41 132.21 54.62 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.418 -0.81 . . . . 25.0 112.171 -179.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 7.1 t -137.56 36.23 2.46 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 122.193 0.997 . . . . 25.0 108.884 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -84.07 -167.57 42.54 Favored Glycine 0 CA--C 1.523 0.541 0 CA-C-N 115.443 -0.798 . . . . 25.0 114.053 -176.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -70.47 -26.23 24.46 Favored 'Trans proline' 0 C--O 1.222 -0.303 0 CA-C-N 118.677 1.239 . . . . 25.0 114.727 -178.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -97.45 19.9 12.56 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.714 0.769 . . . . 25.0 109.616 -177.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 83.9 p -75.77 154.72 36.12 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 115.803 1.779 . . . . 25.0 115.803 -171.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 4.0 m -140.28 162.79 47.87 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 103.038 -2.949 . . . . 25.0 103.038 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -68.95 -6.63 18.63 Favored 'Trans proline' 0 CA--C 1.535 0.534 0 C-N-CA 116.84 -1.64 . . . . 25.0 114.987 -176.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -111.87 26.81 11.06 Favored Glycine 0 C--O 1.227 -0.313 0 N-CA-C 112.147 -0.381 . . . . 25.0 112.147 177.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -91.97 141.12 28.98 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.961 0.726 . . . . 25.0 112.961 -175.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 54.0 mt -137.28 142.67 41.94 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.069 -1.456 . . . . 25.0 107.069 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -91.51 111.08 22.44 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 107.289 -1.374 . . . . 25.0 107.289 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -81.66 -36.38 28.85 Favored 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 109.233 -0.654 . . . . 25.0 109.233 -177.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -26.13 68.56 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 122.05 0.928 . . . . 25.0 108.521 -176.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 7.9 t -87.86 -15.45 36.72 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 114.32 1.23 . . . . 25.0 114.32 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -65.85 -38.81 89.84 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.258 0.836 . . . . 25.0 113.258 -175.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 6.2 p -57.73 -26.44 61.81 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.134 0.79 . . . . 25.0 113.134 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 12.4 t -109.16 -4.12 16.78 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.947 0.721 . . . . 25.0 112.947 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -154.72 129.09 9.06 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.493 0.923 . . . . 25.0 113.493 -177.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 4.0 pp -140.38 165.64 26.86 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 104.762 -2.31 . . . . 25.0 104.762 175.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -136.53 -2.93 2.15 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.146 0.498 . . . . 25.0 110.882 -175.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -101.54 -140.77 11.37 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-O 122.549 1.083 . . . . 25.0 112.467 -178.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -78.49 154.39 30.56 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 113.96 -1.12 . . . . 25.0 112.754 -175.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 25.5 p -83.97 174.47 10.31 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.616 -0.883 . . . . 25.0 108.616 175.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -109.07 9.68 26.24 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 108.829 -0.804 . . . . 25.0 108.829 175.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 57.0 tp . . . . . 0 C--O 1.252 1.2 0 CA-C-O 116.712 -1.614 . . . . 25.0 109.656 178.692 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.885 0 N-CA-C 111.267 -0.733 . . . . 25.0 111.267 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . 0.768 ' HA ' HG23 ' A' ' 820' ' ' THR . 8.8 t -60.05 -24.38 64.51 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 117.647 2.462 . . . . 25.0 117.647 -171.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 9.4 t -82.47 128.61 34.43 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 115.115 1.524 . . . . 25.0 115.115 -175.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 743' ' ' ILE . . . . . 0.407 HG21 ' HB3' ' A' ' 748' ' ' MET . 0.9 OUTLIER -76.25 142.69 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 124.223 1.009 . . . . 25.0 112.623 178.277 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 38.9 m -84.19 166.63 17.41 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.214 -0.448 . . . . 25.0 110.854 174.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -61.81 -37.92 86.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 120.537 -1.352 . . . . 25.0 111.01 177.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -72.96 -23.63 60.69 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.673 -0.694 . . . . 25.0 110.677 178.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.02 -58.61 3.19 Favored 'General case' 0 CA--C 1.504 -0.814 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 -179.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 748' ' ' MET . . . . . 0.407 ' HB3' HG21 ' A' ' 743' ' ' ILE . 23.9 ptp -57.1 -26.32 60.26 Favored 'General case' 0 C--O 1.219 -0.504 0 C-N-CA 119.753 -0.779 . . . . 25.0 111.394 178.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.98 -55.69 26.77 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.692 -0.686 . . . . 25.0 109.632 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -72.37 -31.93 66.0 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 121.165 -0.214 . . . . 25.0 110.544 -177.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -59.27 -48.19 82.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.902 -0.499 . . . . 25.0 109.853 175.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 -66.79 -45.12 79.44 Favored 'General case' 0 CA--C 1.508 -0.647 0 N-CA-C 109.159 -0.682 . . . . 25.0 109.159 -179.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -63.89 -36.44 83.95 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.885 0.698 . . . . 25.0 112.885 -177.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 45.1 m -71.6 -41.93 68.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 118.438 0.563 . . . . 25.0 110.009 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -39.77 92.34 Favored 'General case' 0 C--O 1.209 -1.066 0 N-CA-C 107.33 -1.359 . . . . 25.0 107.33 177.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.94 -30.76 67.16 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 112.519 0.562 . . . . 25.0 112.519 179.337 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -71.11 -31.32 67.63 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.787 -0.57 . . . . 25.0 110.352 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -91.91 -38.23 12.42 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 109.014 -0.735 . . . . 25.0 109.014 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . 0.471 ' HA ' HD21 ' A' ' 766' ' ' LEU . 48.9 t0 -88.31 68.18 8.88 Favored 'General case' 0 CA--C 1.505 -0.778 0 CA-C-O 122.649 1.214 . . . . 25.0 109.192 179.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -75.05 -9.63 58.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.184 -1.371 . . . . 25.0 110.516 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -90.48 -10.78 42.42 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.477 -0.783 . . . . 25.0 109.242 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 51.73 40.82 28.37 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.651 1.18 . . . . 25.0 113.425 -178.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 19.0 m -72.93 -20.64 61.02 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 108.954 -0.758 . . . . 25.0 108.954 176.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 88.53 1.26 81.1 Favored Glycine 0 C--O 1.24 0.474 0 N-CA-C 110.127 -1.189 . . . . 25.0 110.127 -178.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -149.42 155.46 40.46 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.033 -1.099 . . . . 25.0 108.033 -175.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 766' ' ' LEU . . . . . 0.476 ' HB2' ' CD1' ' A' ' 771' ' ' PHE . 20.9 mt -136.35 173.19 11.97 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.939 -1.134 . . . . 25.0 107.939 176.015 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.83 173.12 54.65 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 109.857 -1.297 . . . . 25.0 109.857 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -66.53 -36.09 27.42 Favored 'Trans proline' 0 C--O 1.218 -0.525 0 CA-C-N 117.75 0.775 . . . . 25.0 112.873 -176.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -73.82 -35.93 64.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.487 0.66 . . . . 25.0 110.317 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -70.28 -51.64 28.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.938 -0.574 . . . . 25.0 110.33 -177.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 771' ' ' PHE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 766' ' ' LEU . 0.3 OUTLIER -61.0 -30.98 70.61 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 113.035 0.754 . . . . 25.0 113.035 174.051 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -63.34 -47.38 82.4 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 109.039 -0.726 . . . . 25.0 109.039 176.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -70.87 -24.44 62.51 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.247 0.546 . . . . 25.0 110.969 -178.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 49.4 t -62.61 -35.93 81.15 Favored 'General case' 0 C--O 1.209 -1.049 0 N-CA-C 109.429 -0.582 . . . . 25.0 109.429 176.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 14.2 mt -65.34 -33.71 76.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.817 0.818 . . . . 25.0 110.674 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 58.1 mt -59.58 -31.34 46.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 O-C-N 121.619 -0.676 . . . . 25.0 111.032 -177.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 82.8 p -63.9 -21.26 66.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.718 0.294 . . . . 25.0 111.697 178.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 16.7 mt -90.81 -18.6 24.6 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-O 121.203 0.525 . . . . 25.0 111.058 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 122.0 21.01 2.96 Favored Glycine 0 C--O 1.211 -1.282 0 CA-C-N 116.037 -0.529 . . . . 25.0 114.207 -179.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -92.1 146.03 24.05 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 107.91 -1.144 . . . . 25.0 107.91 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -101.64 33.34 3.01 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 107.882 -1.155 . . . . 25.0 107.882 178.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 57.3 mt -103.81 100.48 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.775 0 N-CA-C 105.737 -1.949 . . . . 25.0 105.737 -177.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -145.24 -140.14 3.51 Favored Glycine 0 C--O 1.249 1.075 0 N-CA-C 109.495 -1.442 . . . . 25.0 109.495 -178.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -86.6 16.11 4.97 Favored 'General case' 0 CA--C 1.563 1.454 0 CA-C-O 122.729 1.252 . . . . 25.0 109.836 178.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -83.91 149.42 56.4 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 106.39 -1.708 . . . . 25.0 106.39 178.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -70.84 -20.09 30.16 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 116.551 -1.833 . . . . 25.0 115.566 -169.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -81.38 -38.43 26.6 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 107.747 -1.205 . . . . 25.0 107.747 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -65.89 -46.19 83.6 Favored Glycine 0 C--O 1.203 -1.817 0 N-CA-C 109.65 -1.38 . . . . 25.0 109.65 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -57.5 -40.12 78.0 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 121.697 -0.884 . . . . 25.0 111.576 177.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -61.69 -36.81 81.96 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.006 0.373 . . . . 25.0 112.006 -178.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -89.39 -24.98 21.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.43 0.633 . . . . 25.0 110.189 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -68.12 -33.86 75.29 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.819 -0.808 . . . . 25.0 108.819 178.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.48 -28.06 66.68 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 121.664 0.745 . . . . 25.0 111.1 176.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -81.71 -40.98 21.95 Favored 'General case' 0 C--O 1.219 -0.553 0 N-CA-C 108.072 -1.084 . . . . 25.0 108.072 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 39.7 mt -62.16 -47.68 92.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 114.588 -1.187 . . . . 25.0 111.338 -176.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 13.9 ptt? -62.39 -26.53 68.52 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-O 120.761 0.315 . . . . 25.0 111.783 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 49.2 m -76.66 -16.92 59.41 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.507 -0.315 . . . . 25.0 110.894 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 57.8 mt -94.48 -48.64 12.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.454 0.645 . . . . 25.0 110.55 -178.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 23.2 m -75.35 -15.67 15.72 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-O 121.528 0.68 . . . . 25.0 112.675 -176.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -151.93 68.66 7.51 Favored Pre-proline 0 CA--C 1.542 0.646 0 CA-C-N 115.268 -0.878 . . . . 25.0 110.506 -174.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -71.19 -10.04 26.57 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 118.015 -0.857 . . . . 25.0 111.897 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -90.03 -9.21 49.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.314 -0.403 . . . . 25.0 110.191 -179.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? 55.06 50.51 15.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 122.259 1.028 . . . . 25.0 111.222 -177.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 87.3 mt -71.22 -26.0 62.74 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 113.978 -1.465 . . . . 25.0 108.337 174.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 89.41 19.78 47.86 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 110.776 -0.93 . . . . 25.0 110.776 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 7.8 m -145.3 153.1 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 CA-C-O 121.596 0.713 . . . . 25.0 110.105 -177.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 14.8 t -131.58 131.61 62.54 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.47 0 CA-C-N 115.19 -0.914 . . . . 25.0 109.827 -177.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.31 159.78 14.72 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.01 -0.737 . . . . 25.0 109.01 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -50.75 -44.53 58.46 Favored 'General case' 0 C--O 1.208 -1.104 0 O-C-N 123.433 0.458 . . . . 25.0 110.364 178.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -24.01 61.39 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 119.979 -0.688 . . . . 25.0 110.03 -174.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -74.95 -40.07 60.98 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.293 -0.563 . . . . 25.0 111.896 -177.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.447 ' HA ' ' CE2' ' A' ' 815' ' ' PHE . 1.3 p90 -70.17 -30.6 67.78 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 118.755 -1.178 . . . . 25.0 109.607 178.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 12.0 mm -63.03 -29.55 47.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.315 0.579 . . . . 25.0 109.728 177.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -61.99 -43.87 97.93 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.202 0.525 . . . . 25.0 110.731 -178.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 815' ' ' PHE . . . . . 0.447 ' CE2' ' HA ' ' A' ' 812' ' ' PHE . 3.6 p90 -82.34 -25.87 33.48 Favored 'General case' 0 CA--C 1.508 -0.658 0 C-N-CA 119.21 -0.996 . . . . 25.0 111.766 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.437 ' O ' HG22 ' A' ' 820' ' ' THR . 0.0 OUTLIER -65.35 -38.14 89.19 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 106.204 -1.776 . . . . 25.0 106.204 -177.727 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 48.4 t -61.12 -29.9 70.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.159 -0.473 . . . . 25.0 110.452 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 69.2 mtm-85 -85.91 -29.02 23.96 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 114.909 1.448 . . . . 25.0 114.909 -178.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -78.11 -36.69 47.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 119.746 1.157 . . . . 25.0 111.328 -178.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . 0.768 HG23 ' HA ' ' A' ' 741' ' ' SER . 7.5 t -78.36 -5.77 53.21 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 121.431 0.634 . . . . 25.0 109.572 176.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -81.79 -29.82 32.54 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 174.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -69.38 -8.14 43.76 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.23 0.538 . . . . 25.0 110.309 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 76.8 p -119.31 16.06 13.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.697 -0.683 . . . . 25.0 110.752 177.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -83.85 168.3 16.24 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.613 -0.679 . . . . 25.0 110.685 177.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 82.5 p -136.32 154.97 50.71 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.331 0.586 . . . . 25.0 110.552 -179.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -62.92 -17.76 62.21 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 115.489 -0.778 . . . . 25.0 111.409 176.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -53.82 -23.81 13.5 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.669 0.989 . . . . 25.0 113.669 -177.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -29.04 67.59 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.976 0.732 . . . . 25.0 112.976 176.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 5.9 p -77.36 -30.0 17.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 108.603 -0.888 . . . . 25.0 108.603 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.63 -36.22 60.26 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 108.005 -1.109 . . . . 25.0 108.005 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -58.7 -39.34 80.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.087 -0.506 . . . . 25.0 111.193 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 77.4 p -67.68 -41.43 83.68 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 120.133 -0.627 . . . . 25.0 111.411 -179.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -64.64 -37.51 87.81 Favored 'General case' 0 C--O 1.202 -1.401 0 N-CA-C 108.938 -0.764 . . . . 25.0 108.938 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -60.51 -27.09 67.34 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.318 0.488 . . . . 25.0 112.318 -178.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 75.5 mt -75.52 -42.57 42.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.137 -0.69 . . . . 25.0 109.137 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . 0.436 HD11 HD11 ' A' ' 843' ' ' ILE . 0.6 OUTLIER -84.87 -27.72 26.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.899 0.857 . . . . 25.0 111.83 -176.427 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.666 ' HB2' HD12 ' A' ' 843' ' ' ILE . . . -84.27 -8.97 58.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.56 -0.746 . . . . 25.0 111.305 -178.003 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . -60.15 -16.64 42.16 Favored Glycine 0 CA--C 1.523 0.561 0 O-C-N 123.855 0.722 . . . . 25.0 112.366 177.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -65.85 -29.97 70.51 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.612 0.765 . . . . 25.0 109.668 174.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -134.36 -149.92 0.37 Allowed 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 109.032 -0.729 . . . . 25.0 109.032 -177.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -125.13 10.75 8.15 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.677 -0.639 . . . . 25.0 110.048 175.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -155.87 -179.49 8.17 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 107.634 -1.247 . . . . 25.0 107.634 -176.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . 0.666 HD12 ' HB2' ' A' ' 837' ' ' ALA . 0.2 OUTLIER -131.5 149.27 32.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 N-CA-C 108.093 -1.077 . . . . 25.0 108.093 -178.128 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 39.9 p -100.59 160.32 14.44 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 107.761 -1.2 . . . . 25.0 107.761 173.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 74.9 mtm -56.6 -36.75 69.75 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 114.877 -1.056 . . . . 25.0 110.103 176.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -72.12 -36.83 69.54 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-O 121.157 0.503 . . . . 25.0 110.869 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -68.3 -44.55 75.2 Favored 'General case' 0 C--O 1.222 -0.363 0 O-C-N 121.829 -0.545 . . . . 25.0 111.111 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 1.7 pp -70.41 -26.2 63.58 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 119.734 -0.787 . . . . 25.0 110.994 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -71.17 -12.96 61.77 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 120.967 -1.083 . . . . 25.0 111.12 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -70.74 -25.6 62.99 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.69 -0.485 . . . . 25.0 109.69 177.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -85.16 -41.93 15.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 122.014 0.912 . . . . 25.0 110.809 -178.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.72 81.4 69.54 Favored Pre-proline 0 C--O 1.22 -0.463 0 CA-C-N 115.177 -0.92 . . . . 25.0 109.946 -177.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -63.38 -22.02 71.54 Favored 'Trans proline' 0 CA--C 1.547 1.15 0 N-CA-C 119.771 2.95 . . . . 25.0 119.771 -178.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -80.05 -164.0 0.26 Allowed 'Trans proline' 0 C--N 1.365 1.439 0 C-N-CA 113.891 -3.606 . . . . 25.0 111.711 175.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -52.4 -16.18 0.81 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.86 1.43 . . . . 25.0 114.86 -178.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -53.22 -37.71 62.27 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 121.761 -0.587 . . . . 25.0 110.963 175.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -69.88 -40.47 75.68 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.53 -0.174 . . . . 25.0 110.53 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -60.94 -45.13 95.93 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 122.642 1.21 . . . . 25.0 108.507 -177.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -67.13 -32.51 73.68 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 114.913 -1.039 . . . . 25.0 109.86 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 21.8 m -70.69 -38.38 73.68 Favored 'General case' 0 C--O 1.219 -0.513 0 O-C-N 122.083 -0.386 . . . . 25.0 110.457 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 20.6 mt -63.16 -40.31 88.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.225 -0.657 . . . . 25.0 109.225 178.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -66.06 -19.6 65.9 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.119 0.414 . . . . 25.0 112.119 178.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -101.81 -29.15 12.03 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 113.226 0.824 . . . . 25.0 113.226 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 4.9 ttm -69.2 147.13 51.74 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.376 0.607 . . . . 25.0 111.754 -177.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -74.75 144.3 79.89 Favored Pre-proline 0 N--CA 1.442 -0.866 0 CA-C-N 115.2 -0.909 . . . . 25.0 108.631 -176.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -74.24 150.57 42.34 Favored 'Trans proline' 0 N--CA 1.464 -0.26 0 CA-C-O 121.961 0.734 . . . . 25.0 112.605 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -115.85 123.62 48.62 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.254 -0.884 . . . . 25.0 111.17 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 1.9 m -128.47 47.61 2.42 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.995 0.902 . . . . 25.0 108.698 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -93.36 -167.2 38.29 Favored Glycine 0 CA--C 1.523 0.587 0 CA-C-N 115.556 -0.747 . . . . 25.0 113.741 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -70.46 -26.54 24.18 Favored 'Trans proline' 0 CA--C 1.533 0.471 0 CA-C-N 118.802 1.301 . . . . 25.0 114.858 -177.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -98.39 21.52 10.97 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 -177.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 84.0 p -74.28 150.37 40.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.814 1.292 . . . . 25.0 113.922 -171.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.9 m -138.11 164.28 41.76 Favored Pre-proline 0 C--N 1.32 -0.704 0 N-CA-C 102.769 -3.048 . . . . 25.0 102.769 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -67.44 -8.2 21.43 Favored 'Trans proline' 0 N--CA 1.475 0.386 0 C-N-CA 117.704 -1.064 . . . . 25.0 114.651 -178.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -114.12 29.02 7.95 Favored Glycine 0 CA--C 1.507 -0.45 0 N-CA-C 111.262 -0.735 . . . . 25.0 111.262 177.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -92.4 136.83 32.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.397 0.617 . . . . 25.0 111.357 -178.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 49.1 mt -135.25 137.95 43.07 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 108.078 -1.082 . . . . 25.0 108.078 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -89.43 103.29 15.94 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 107.877 -1.157 . . . . 25.0 107.877 178.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -71.42 -36.74 71.43 Favored 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 114.841 -1.072 . . . . 25.0 108.366 -177.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 3.9 ttm -62.4 -27.42 69.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.746 0.784 . . . . 25.0 110.4 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 4.7 t -88.59 -14.25 38.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.195 -0.911 . . . . 25.0 113.352 -177.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -59.88 -43.08 94.94 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 121.975 -0.453 . . . . 25.0 111.839 -177.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 60.0 m -65.69 -6.98 13.03 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.334 0.864 . . . . 25.0 113.334 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 47.5 p -109.11 -18.67 13.59 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.129 0.418 . . . . 25.0 112.129 177.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -158.86 139.85 12.89 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 122.579 0.352 . . . . 25.0 111.542 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 4.3 pp -146.71 157.99 43.81 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 106.843 -1.54 . . . . 25.0 106.843 177.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -137.18 -1.53 2.14 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.172 1.175 . . . . 25.0 114.172 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -90.03 4.38 83.07 Favored Glycine 0 C--O 1.224 -0.499 0 N-CA-C 115.794 1.078 . . . . 25.0 115.794 -176.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -142.75 165.76 26.51 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 105.979 -1.86 . . . . 25.0 105.979 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 59.3 m -144.42 155.61 43.83 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 107.125 -1.435 . . . . 25.0 107.125 176.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -64.75 -35.28 80.58 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.56 0.538 . . . . 25.0 112.26 -178.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 34.0 tp . . . . . 0 C--O 1.248 1.016 0 CA-C-O 115.924 -1.988 . . . . 25.0 107.791 -178.124 . . . . . . . . 0 0 . 1 stop_ save_